USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 630 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 371 LYS NZ :NH3+ 180:sc= -0.0316 (180deg=0) USER MOD Set 1.2: A 421 LYS NZ :NH3+ 152:sc= -0.333 (180deg=-1.16) USER MOD Single : A 368 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 369 ASN : amide:sc= -2.29 K(o=-2.3,f=-0.73) USER MOD Single : A 373 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 375 TYR OH : rot 180:sc= 0 USER MOD Single : A 376 SER OG : rot 180:sc= 0 USER MOD Single : A 380 TYR OH : rot 180:sc= 0 USER MOD Single : A 382 SER OG : rot 180:sc= 0 USER MOD Single : A 386 HIS : no HD1:sc= -5.35! C(o=-5.4!,f=-4.8!) USER MOD Single : A 387 TYR OH : rot 165:sc= -4.32! USER MOD Single : A 389 THR OG1 : rot 150:sc= -1.76! USER MOD Single : A 391 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 392 LYS NZ :NH3+ -160:sc= -0.0165 (180deg=-0.208) USER MOD Single : A 394 THR OG1 : rot 130:sc= -1.89! USER MOD Single : A 399 ASN : amide:sc= -1.77! C(o=-1.8!,f=-7.5!) USER MOD Single : A 400 SER OG : rot -3:sc= -1.02 USER MOD Single : A 404 CYS SG : rot -82:sc= -3.27! USER MOD Single : A 410 THR OG1 : rot 180:sc= 0 USER MOD Single : A 414 THR OG1 : rot 12:sc= 0.831 USER MOD Single : A 419 ASN : amide:sc= -0.798 K(o=-0.8,f=-2.7!) USER MOD Single : A 430 ASN : amide:sc= -0.729 K(o=-0.73,f=-3.9!) USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 LYS NZ :NH3+ 158:sc= -0.0151 (180deg=-0.186) USER MOD Single : A 437 MET CE :methyl -107:sc= -2.17 (180deg=-7.55!) USER MOD Single : A 441 TYR OH : rot 130:sc= -1.98! USER MOD Single : A 443 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 444 GLN : amide:sc= -0.184 K(o=-0.18,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 40 N ASP A 367 -7.672 -6.764 7.051 1.00 0.00 N ATOM 41 CA ASP A 367 -8.914 -6.074 6.725 1.00 0.00 C ATOM 42 C ASP A 367 -9.564 -6.684 5.491 1.00 0.00 C ATOM 43 O ASP A 367 -9.127 -7.723 4.995 1.00 0.00 O ATOM 44 CB ASP A 367 -8.657 -4.583 6.495 1.00 0.00 C ATOM 45 CG ASP A 367 -8.752 -3.778 7.777 1.00 0.00 C ATOM 46 OD1 ASP A 367 -8.729 -4.390 8.865 1.00 0.00 O ATOM 47 OD2 ASP A 367 -8.852 -2.536 7.690 1.00 0.00 O ATOM 0 HA ASP A 367 -9.593 -6.189 7.570 1.00 0.00 H new ATOM 0 HB2 ASP A 367 -7.667 -4.450 6.058 1.00 0.00 H new ATOM 0 HB3 ASP A 367 -9.378 -4.199 5.773 1.00 0.00 H new ATOM 52 N MET A 368 -10.612 -6.034 5.000 1.00 0.00 N ATOM 53 CA MET A 368 -11.325 -6.515 3.824 1.00 0.00 C ATOM 54 C MET A 368 -10.915 -5.733 2.580 1.00 0.00 C ATOM 55 O MET A 368 -10.653 -6.316 1.529 1.00 0.00 O ATOM 56 CB MET A 368 -12.835 -6.404 4.042 1.00 0.00 C ATOM 57 CG MET A 368 -13.281 -6.840 5.429 1.00 0.00 C ATOM 58 SD MET A 368 -14.514 -8.155 5.383 1.00 0.00 S ATOM 59 CE MET A 368 -15.520 -7.728 6.803 1.00 0.00 C ATOM 0 H MET A 368 -10.987 -5.173 5.398 1.00 0.00 H new ATOM 0 HA MET A 368 -11.063 -7.562 3.671 1.00 0.00 H new ATOM 0 HB2 MET A 368 -13.143 -5.371 3.878 1.00 0.00 H new ATOM 0 HB3 MET A 368 -13.347 -7.012 3.296 1.00 0.00 H new ATOM 0 HG2 MET A 368 -12.414 -7.181 5.995 1.00 0.00 H new ATOM 0 HG3 MET A 368 -13.691 -5.981 5.961 1.00 0.00 H new ATOM 0 HE1 MET A 368 -16.328 -8.452 6.907 1.00 0.00 H new ATOM 0 HE2 MET A 368 -14.904 -7.740 7.702 1.00 0.00 H new ATOM 0 HE3 MET A 368 -15.941 -6.732 6.665 1.00 0.00 H new ATOM 69 N ASN A 369 -10.867 -4.413 2.707 1.00 0.00 N ATOM 70 CA ASN A 369 -10.494 -3.554 1.589 1.00 0.00 C ATOM 71 C ASN A 369 -9.346 -2.621 1.956 1.00 0.00 C ATOM 72 O ASN A 369 -9.554 -1.439 2.235 1.00 0.00 O ATOM 73 CB ASN A 369 -11.700 -2.734 1.146 1.00 0.00 C ATOM 74 CG ASN A 369 -12.373 -3.306 -0.086 1.00 0.00 C ATOM 75 OD1 ASN A 369 -13.585 -3.518 -0.103 1.00 0.00 O ATOM 76 ND2 ASN A 369 -11.588 -3.559 -1.127 1.00 0.00 N ATOM 0 H ASN A 369 -11.081 -3.914 3.571 1.00 0.00 H new ATOM 0 HA ASN A 369 -10.159 -4.193 0.772 1.00 0.00 H new ATOM 0 HB2 ASN A 369 -12.422 -2.687 1.961 1.00 0.00 H new ATOM 0 HB3 ASN A 369 -11.384 -1.711 0.941 1.00 0.00 H new ATOM 0 HD21 ASN A 369 -11.985 -3.944 -1.984 1.00 0.00 H new ATOM 0 HD22 ASN A 369 -10.588 -3.368 -1.070 1.00 0.00 H new ATOM 83 N ALA A 370 -8.134 -3.155 1.934 1.00 0.00 N ATOM 84 CA ALA A 370 -6.943 -2.370 2.239 1.00 0.00 C ATOM 85 C ALA A 370 -6.489 -1.588 1.018 1.00 0.00 C ATOM 86 O ALA A 370 -6.410 -0.365 1.044 1.00 0.00 O ATOM 87 CB ALA A 370 -5.823 -3.255 2.745 1.00 0.00 C ATOM 0 H ALA A 370 -7.947 -4.132 1.708 1.00 0.00 H new ATOM 0 HA ALA A 370 -7.201 -1.663 3.028 1.00 0.00 H new ATOM 0 HB1 ALA A 370 -4.947 -2.644 2.965 1.00 0.00 H new ATOM 0 HB2 ALA A 370 -6.145 -3.767 3.652 1.00 0.00 H new ATOM 0 HB3 ALA A 370 -5.569 -3.992 1.983 1.00 0.00 H new ATOM 93 N LYS A 371 -6.205 -2.311 -0.059 1.00 0.00 N ATOM 94 CA LYS A 371 -5.775 -1.686 -1.305 1.00 0.00 C ATOM 95 C LYS A 371 -6.846 -0.715 -1.780 1.00 0.00 C ATOM 96 O LYS A 371 -6.575 0.217 -2.531 1.00 0.00 O ATOM 97 CB LYS A 371 -5.526 -2.750 -2.375 1.00 0.00 C ATOM 98 CG LYS A 371 -6.792 -3.461 -2.825 1.00 0.00 C ATOM 99 CD LYS A 371 -6.992 -4.770 -2.077 1.00 0.00 C ATOM 100 CE LYS A 371 -8.110 -5.595 -2.695 1.00 0.00 C ATOM 101 NZ LYS A 371 -8.816 -6.423 -1.678 1.00 0.00 N ATOM 0 H LYS A 371 -6.264 -3.329 -0.095 1.00 0.00 H new ATOM 0 HA LYS A 371 -4.845 -1.145 -1.130 1.00 0.00 H new ATOM 0 HB2 LYS A 371 -5.054 -2.282 -3.239 1.00 0.00 H new ATOM 0 HB3 LYS A 371 -4.822 -3.487 -1.987 1.00 0.00 H new ATOM 0 HG2 LYS A 371 -7.653 -2.812 -2.662 1.00 0.00 H new ATOM 0 HG3 LYS A 371 -6.739 -3.657 -3.896 1.00 0.00 H new ATOM 0 HD2 LYS A 371 -6.065 -5.343 -2.089 1.00 0.00 H new ATOM 0 HD3 LYS A 371 -7.225 -4.562 -1.033 1.00 0.00 H new ATOM 0 HE2 LYS A 371 -8.824 -4.931 -3.182 1.00 0.00 H new ATOM 0 HE3 LYS A 371 -7.698 -6.243 -3.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 -9.571 -6.970 -2.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 -8.140 -7.074 -1.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 -9.231 -5.803 -0.953 1.00 0.00 H new ATOM 115 N ARG A 372 -8.059 -0.940 -1.301 1.00 0.00 N ATOM 116 CA ARG A 372 -9.185 -0.087 -1.641 1.00 0.00 C ATOM 117 C ARG A 372 -9.217 1.114 -0.709 1.00 0.00 C ATOM 118 O ARG A 372 -9.179 2.261 -1.153 1.00 0.00 O ATOM 119 CB ARG A 372 -10.502 -0.862 -1.556 1.00 0.00 C ATOM 120 CG ARG A 372 -11.738 0.029 -1.546 1.00 0.00 C ATOM 121 CD ARG A 372 -12.468 -0.017 -2.879 1.00 0.00 C ATOM 122 NE ARG A 372 -13.491 1.021 -2.983 1.00 0.00 N ATOM 123 CZ ARG A 372 -14.762 0.846 -2.629 1.00 0.00 C ATOM 124 NH1 ARG A 372 -15.169 -0.318 -2.141 1.00 0.00 N ATOM 125 NH2 ARG A 372 -15.628 1.840 -2.762 1.00 0.00 N ATOM 0 H ARG A 372 -8.289 -1.710 -0.673 1.00 0.00 H new ATOM 0 HA ARG A 372 -9.064 0.258 -2.668 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -10.566 -1.547 -2.402 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -10.497 -1.471 -0.652 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -12.411 -0.289 -0.750 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -11.446 1.056 -1.325 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -11.749 0.101 -3.690 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -12.931 -0.996 -3.004 1.00 0.00 H new ATOM 0 HE ARG A 372 -13.215 1.933 -3.348 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -14.506 -1.086 -2.035 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -16.145 -0.445 -1.872 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -15.320 2.738 -3.135 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -16.602 1.707 -2.491 1.00 0.00 H new ATOM 139 N GLN A 373 -9.289 0.843 0.587 1.00 0.00 N ATOM 140 CA GLN A 373 -9.328 1.905 1.580 1.00 0.00 C ATOM 141 C GLN A 373 -8.100 2.804 1.451 1.00 0.00 C ATOM 142 O GLN A 373 -8.187 4.022 1.612 1.00 0.00 O ATOM 143 CB GLN A 373 -9.409 1.298 2.977 1.00 0.00 C ATOM 144 CG GLN A 373 -9.490 2.330 4.081 1.00 0.00 C ATOM 145 CD GLN A 373 -10.609 2.044 5.064 1.00 0.00 C ATOM 146 OE1 GLN A 373 -11.672 2.663 5.010 1.00 0.00 O ATOM 147 NE2 GLN A 373 -10.374 1.101 5.968 1.00 0.00 N ATOM 0 H GLN A 373 -9.321 -0.100 0.973 1.00 0.00 H new ATOM 0 HA GLN A 373 -10.213 2.519 1.411 1.00 0.00 H new ATOM 0 HB2 GLN A 373 -10.283 0.649 3.032 1.00 0.00 H new ATOM 0 HB3 GLN A 373 -8.534 0.669 3.142 1.00 0.00 H new ATOM 0 HG2 GLN A 373 -8.541 2.361 4.615 1.00 0.00 H new ATOM 0 HG3 GLN A 373 -9.640 3.316 3.642 1.00 0.00 H new ATOM 0 HE21 GLN A 373 -9.478 0.614 5.975 1.00 0.00 H new ATOM 0 HE22 GLN A 373 -11.089 0.864 6.655 1.00 0.00 H new ATOM 156 N LEU A 374 -6.967 2.189 1.139 1.00 0.00 N ATOM 157 CA LEU A 374 -5.716 2.904 0.962 1.00 0.00 C ATOM 158 C LEU A 374 -5.750 3.716 -0.331 1.00 0.00 C ATOM 159 O LEU A 374 -5.666 4.944 -0.304 1.00 0.00 O ATOM 160 CB LEU A 374 -4.552 1.909 0.943 1.00 0.00 C ATOM 161 CG LEU A 374 -3.164 2.542 0.955 1.00 0.00 C ATOM 162 CD1 LEU A 374 -2.714 2.879 -0.455 1.00 0.00 C ATOM 163 CD2 LEU A 374 -3.164 3.781 1.838 1.00 0.00 C ATOM 0 H LEU A 374 -6.892 1.181 1.002 1.00 0.00 H new ATOM 0 HA LEU A 374 -5.576 3.594 1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 374 -4.642 1.250 1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 374 -4.642 1.284 0.055 1.00 0.00 H new ATOM 0 HG LEU A 374 -2.455 1.824 1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 374 -1.722 3.329 -0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 374 -2.680 1.969 -1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 374 -3.417 3.582 -0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 374 -2.169 4.226 1.840 1.00 0.00 H new ATOM 0 HD22 LEU A 374 -3.884 4.503 1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 374 -3.439 3.503 2.855 1.00 0.00 H new ATOM 175 N TYR A 375 -5.893 3.026 -1.463 1.00 0.00 N ATOM 176 CA TYR A 375 -5.958 3.700 -2.762 1.00 0.00 C ATOM 177 C TYR A 375 -6.847 4.920 -2.657 1.00 0.00 C ATOM 178 O TYR A 375 -6.609 5.952 -3.285 1.00 0.00 O ATOM 179 CB TYR A 375 -6.521 2.762 -3.823 1.00 0.00 C ATOM 180 CG TYR A 375 -6.250 3.205 -5.245 1.00 0.00 C ATOM 181 CD1 TYR A 375 -5.085 3.887 -5.575 1.00 0.00 C ATOM 182 CD2 TYR A 375 -7.161 2.937 -6.258 1.00 0.00 C ATOM 183 CE1 TYR A 375 -4.837 4.290 -6.873 1.00 0.00 C ATOM 184 CE2 TYR A 375 -6.921 3.337 -7.559 1.00 0.00 C ATOM 185 CZ TYR A 375 -5.758 4.014 -7.860 1.00 0.00 C ATOM 186 OH TYR A 375 -5.514 4.413 -9.154 1.00 0.00 O ATOM 0 H TYR A 375 -5.966 2.010 -1.508 1.00 0.00 H new ATOM 0 HA TYR A 375 -4.950 3.998 -3.049 1.00 0.00 H new ATOM 0 HB2 TYR A 375 -6.097 1.768 -3.676 1.00 0.00 H new ATOM 0 HB3 TYR A 375 -7.598 2.674 -3.680 1.00 0.00 H new ATOM 0 HD1 TYR A 375 -4.361 4.106 -4.804 1.00 0.00 H new ATOM 0 HD2 TYR A 375 -8.073 2.407 -6.025 1.00 0.00 H new ATOM 0 HE1 TYR A 375 -3.926 4.819 -7.113 1.00 0.00 H new ATOM 0 HE2 TYR A 375 -7.640 3.121 -8.335 1.00 0.00 H new ATOM 0 HH TYR A 375 -6.261 4.140 -9.727 1.00 0.00 H new ATOM 196 N SER A 376 -7.864 4.782 -1.828 1.00 0.00 N ATOM 197 CA SER A 376 -8.809 5.861 -1.583 1.00 0.00 C ATOM 198 C SER A 376 -8.182 6.882 -0.643 1.00 0.00 C ATOM 199 O SER A 376 -8.216 8.088 -0.890 1.00 0.00 O ATOM 200 CB SER A 376 -10.103 5.310 -0.973 1.00 0.00 C ATOM 201 OG SER A 376 -10.851 6.339 -0.347 1.00 0.00 O ATOM 0 H SER A 376 -8.060 3.927 -1.308 1.00 0.00 H new ATOM 0 HA SER A 376 -9.052 6.343 -2.530 1.00 0.00 H new ATOM 0 HB2 SER A 376 -10.705 4.841 -1.752 1.00 0.00 H new ATOM 0 HB3 SER A 376 -9.864 4.535 -0.245 1.00 0.00 H new ATOM 0 HG SER A 376 -11.672 5.962 0.033 1.00 0.00 H new ATOM 207 N LEU A 377 -7.613 6.374 0.443 1.00 0.00 N ATOM 208 CA LEU A 377 -6.979 7.203 1.451 1.00 0.00 C ATOM 209 C LEU A 377 -5.761 7.931 0.894 1.00 0.00 C ATOM 210 O LEU A 377 -5.736 9.161 0.842 1.00 0.00 O ATOM 211 CB LEU A 377 -6.587 6.341 2.649 1.00 0.00 C ATOM 212 CG LEU A 377 -7.741 6.029 3.603 1.00 0.00 C ATOM 213 CD1 LEU A 377 -7.549 4.678 4.269 1.00 0.00 C ATOM 214 CD2 LEU A 377 -7.875 7.126 4.645 1.00 0.00 C ATOM 0 H LEU A 377 -7.580 5.375 0.647 1.00 0.00 H new ATOM 0 HA LEU A 377 -7.693 7.963 1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 377 -6.168 5.403 2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 377 -5.798 6.848 3.205 1.00 0.00 H new ATOM 0 HG LEU A 377 -8.662 5.987 3.021 1.00 0.00 H new ATOM 0 HD11 LEU A 377 -8.384 4.482 4.942 1.00 0.00 H new ATOM 0 HD12 LEU A 377 -7.506 3.900 3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 377 -6.619 4.681 4.837 1.00 0.00 H new ATOM 0 HD21 LEU A 377 -8.700 6.891 5.317 1.00 0.00 H new ATOM 0 HD22 LEU A 377 -6.950 7.199 5.217 1.00 0.00 H new ATOM 0 HD23 LEU A 377 -8.071 8.077 4.149 1.00 0.00 H new ATOM 226 N ILE A 378 -4.750 7.174 0.483 1.00 0.00 N ATOM 227 CA ILE A 378 -3.537 7.773 -0.058 1.00 0.00 C ATOM 228 C ILE A 378 -3.530 7.738 -1.581 1.00 0.00 C ATOM 229 O ILE A 378 -3.201 8.728 -2.234 1.00 0.00 O ATOM 230 CB ILE A 378 -2.307 7.006 0.463 1.00 0.00 C ATOM 231 CG1 ILE A 378 -2.097 7.292 1.945 1.00 0.00 C ATOM 232 CG2 ILE A 378 -1.069 7.367 -0.329 1.00 0.00 C ATOM 233 CD1 ILE A 378 -1.001 6.461 2.575 1.00 0.00 C ATOM 0 H ILE A 378 -4.746 6.154 0.514 1.00 0.00 H new ATOM 0 HA ILE A 378 -3.504 8.813 0.266 1.00 0.00 H new ATOM 0 HB ILE A 378 -2.489 5.939 0.335 1.00 0.00 H new ATOM 0 HG12 ILE A 378 -1.859 8.348 2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 378 -3.031 7.110 2.477 1.00 0.00 H new ATOM 0 HG21 ILE A 378 -0.215 6.812 0.059 1.00 0.00 H new ATOM 0 HG22 ILE A 378 -1.221 7.113 -1.378 1.00 0.00 H new ATOM 0 HG23 ILE A 378 -0.878 8.436 -0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 378 -0.909 6.719 3.630 1.00 0.00 H new ATOM 0 HD12 ILE A 378 -1.246 5.403 2.480 1.00 0.00 H new ATOM 0 HD13 ILE A 378 -0.056 6.661 2.069 1.00 0.00 H new ATOM 245 N GLY A 379 -3.874 6.584 -2.133 1.00 0.00 N ATOM 246 CA GLY A 379 -3.883 6.418 -3.573 1.00 0.00 C ATOM 247 C GLY A 379 -4.238 7.690 -4.320 1.00 0.00 C ATOM 248 O GLY A 379 -5.103 8.454 -3.889 1.00 0.00 O ATOM 0 H GLY A 379 -4.149 5.755 -1.606 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -2.901 6.075 -3.899 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -4.597 5.638 -3.838 1.00 0.00 H new ATOM 252 N TYR A 380 -3.569 7.912 -5.448 1.00 0.00 N ATOM 253 CA TYR A 380 -3.809 9.090 -6.270 1.00 0.00 C ATOM 254 C TYR A 380 -3.291 8.868 -7.687 1.00 0.00 C ATOM 255 O TYR A 380 -2.892 7.760 -8.044 1.00 0.00 O ATOM 256 CB TYR A 380 -3.139 10.321 -5.654 1.00 0.00 C ATOM 257 CG TYR A 380 -3.968 10.986 -4.582 1.00 0.00 C ATOM 258 CD1 TYR A 380 -5.218 11.517 -4.871 1.00 0.00 C ATOM 259 CD2 TYR A 380 -3.500 11.083 -3.276 1.00 0.00 C ATOM 260 CE1 TYR A 380 -5.980 12.125 -3.893 1.00 0.00 C ATOM 261 CE2 TYR A 380 -4.257 11.690 -2.292 1.00 0.00 C ATOM 262 CZ TYR A 380 -5.495 12.208 -2.605 1.00 0.00 C ATOM 263 OH TYR A 380 -6.251 12.813 -1.628 1.00 0.00 O ATOM 0 H TYR A 380 -2.852 7.286 -5.814 1.00 0.00 H new ATOM 0 HA TYR A 380 -4.885 9.262 -6.313 1.00 0.00 H new ATOM 0 HB2 TYR A 380 -2.179 10.028 -5.230 1.00 0.00 H new ATOM 0 HB3 TYR A 380 -2.932 11.044 -6.442 1.00 0.00 H new ATOM 0 HD1 TYR A 380 -5.601 11.453 -5.879 1.00 0.00 H new ATOM 0 HD2 TYR A 380 -2.530 10.678 -3.027 1.00 0.00 H new ATOM 0 HE1 TYR A 380 -6.950 12.533 -4.136 1.00 0.00 H new ATOM 0 HE2 TYR A 380 -3.880 11.758 -1.282 1.00 0.00 H new ATOM 0 HH TYR A 380 -5.766 12.787 -0.777 1.00 0.00 H new ATOM 273 N ALA A 381 -3.302 9.925 -8.492 1.00 0.00 N ATOM 274 CA ALA A 381 -2.836 9.836 -9.869 1.00 0.00 C ATOM 275 C ALA A 381 -1.317 9.953 -9.951 1.00 0.00 C ATOM 276 O ALA A 381 -0.666 9.203 -10.679 1.00 0.00 O ATOM 277 CB ALA A 381 -3.494 10.902 -10.732 1.00 0.00 C ATOM 0 H ALA A 381 -3.628 10.851 -8.215 1.00 0.00 H new ATOM 0 HA ALA A 381 -3.120 8.855 -10.249 1.00 0.00 H new ATOM 0 HB1 ALA A 381 -3.131 10.816 -11.756 1.00 0.00 H new ATOM 0 HB2 ALA A 381 -4.575 10.765 -10.718 1.00 0.00 H new ATOM 0 HB3 ALA A 381 -3.248 11.889 -10.341 1.00 0.00 H new ATOM 283 N SER A 382 -0.756 10.905 -9.210 1.00 0.00 N ATOM 284 CA SER A 382 0.688 11.122 -9.212 1.00 0.00 C ATOM 285 C SER A 382 1.383 10.282 -8.143 1.00 0.00 C ATOM 286 O SER A 382 2.562 9.952 -8.273 1.00 0.00 O ATOM 287 CB SER A 382 1.001 12.603 -8.988 1.00 0.00 C ATOM 288 OG SER A 382 0.501 13.048 -7.738 1.00 0.00 O ATOM 0 H SER A 382 -1.277 11.537 -8.602 1.00 0.00 H new ATOM 0 HA SER A 382 1.066 10.813 -10.186 1.00 0.00 H new ATOM 0 HB2 SER A 382 2.079 12.760 -9.029 1.00 0.00 H new ATOM 0 HB3 SER A 382 0.562 13.196 -9.790 1.00 0.00 H new ATOM 0 HG SER A 382 0.716 13.997 -7.619 1.00 0.00 H new ATOM 294 N LEU A 383 0.655 9.950 -7.083 1.00 0.00 N ATOM 295 CA LEU A 383 1.215 9.160 -5.991 1.00 0.00 C ATOM 296 C LEU A 383 1.588 7.753 -6.454 1.00 0.00 C ATOM 297 O LEU A 383 2.312 7.036 -5.764 1.00 0.00 O ATOM 298 CB LEU A 383 0.213 9.074 -4.846 1.00 0.00 C ATOM 299 CG LEU A 383 0.525 8.005 -3.805 1.00 0.00 C ATOM 300 CD1 LEU A 383 0.375 8.568 -2.405 1.00 0.00 C ATOM 301 CD2 LEU A 383 -0.376 6.796 -3.997 1.00 0.00 C ATOM 0 H LEU A 383 -0.322 10.214 -6.956 1.00 0.00 H new ATOM 0 HA LEU A 383 2.123 9.657 -5.649 1.00 0.00 H new ATOM 0 HB2 LEU A 383 0.166 10.043 -4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 383 -0.776 8.880 -5.261 1.00 0.00 H new ATOM 0 HG LEU A 383 1.559 7.685 -3.937 1.00 0.00 H new ATOM 0 HD11 LEU A 383 0.601 7.791 -1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 383 1.064 9.403 -2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 383 -0.648 8.915 -2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 383 -0.139 6.043 -3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 383 -1.418 7.098 -3.892 1.00 0.00 H new ATOM 0 HD23 LEU A 383 -0.218 6.378 -4.991 1.00 0.00 H new ATOM 313 N ARG A 384 1.099 7.380 -7.631 1.00 0.00 N ATOM 314 CA ARG A 384 1.374 6.069 -8.219 1.00 0.00 C ATOM 315 C ARG A 384 1.734 5.010 -7.177 1.00 0.00 C ATOM 316 O ARG A 384 2.836 4.464 -7.203 1.00 0.00 O ATOM 317 CB ARG A 384 2.515 6.182 -9.230 1.00 0.00 C ATOM 318 CG ARG A 384 2.320 5.322 -10.468 1.00 0.00 C ATOM 319 CD ARG A 384 3.074 4.005 -10.356 1.00 0.00 C ATOM 320 NE ARG A 384 3.816 3.693 -11.572 1.00 0.00 N ATOM 321 CZ ARG A 384 5.016 4.190 -11.851 1.00 0.00 C ATOM 322 NH1 ARG A 384 5.607 5.017 -10.999 1.00 0.00 N ATOM 323 NH2 ARG A 384 5.625 3.861 -12.981 1.00 0.00 N ATOM 0 H ARG A 384 0.502 7.974 -8.206 1.00 0.00 H new ATOM 0 HA ARG A 384 0.454 5.748 -8.708 1.00 0.00 H new ATOM 0 HB2 ARG A 384 2.618 7.224 -9.534 1.00 0.00 H new ATOM 0 HB3 ARG A 384 3.449 5.898 -8.744 1.00 0.00 H new ATOM 0 HG2 ARG A 384 1.258 5.123 -10.611 1.00 0.00 H new ATOM 0 HG3 ARG A 384 2.664 5.866 -11.348 1.00 0.00 H new ATOM 0 HD2 ARG A 384 3.764 4.053 -9.513 1.00 0.00 H new ATOM 0 HD3 ARG A 384 2.369 3.201 -10.146 1.00 0.00 H new ATOM 0 HE ARG A 384 3.390 3.057 -12.246 1.00 0.00 H new ATOM 0 HH11 ARG A 384 5.140 5.272 -10.129 1.00 0.00 H new ATOM 0 HH12 ARG A 384 6.528 5.398 -11.214 1.00 0.00 H new ATOM 0 HH21 ARG A 384 5.172 3.225 -13.638 1.00 0.00 H new ATOM 0 HH22 ARG A 384 6.546 4.243 -13.194 1.00 0.00 H new ATOM 337 N LEU A 385 0.803 4.693 -6.278 1.00 0.00 N ATOM 338 CA LEU A 385 1.057 3.670 -5.273 1.00 0.00 C ATOM 339 C LEU A 385 1.009 2.295 -5.931 1.00 0.00 C ATOM 340 O LEU A 385 0.315 2.105 -6.930 1.00 0.00 O ATOM 341 CB LEU A 385 0.049 3.771 -4.124 1.00 0.00 C ATOM 342 CG LEU A 385 -1.410 3.926 -4.543 1.00 0.00 C ATOM 343 CD1 LEU A 385 -1.738 3.009 -5.708 1.00 0.00 C ATOM 344 CD2 LEU A 385 -2.316 3.638 -3.362 1.00 0.00 C ATOM 0 H LEU A 385 -0.120 5.124 -6.227 1.00 0.00 H new ATOM 0 HA LEU A 385 2.048 3.823 -4.847 1.00 0.00 H new ATOM 0 HB2 LEU A 385 0.138 2.878 -3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 385 0.322 4.621 -3.498 1.00 0.00 H new ATOM 0 HG LEU A 385 -1.573 4.952 -4.871 1.00 0.00 H new ATOM 0 HD11 LEU A 385 -2.783 3.137 -5.989 1.00 0.00 H new ATOM 0 HD12 LEU A 385 -1.101 3.257 -6.557 1.00 0.00 H new ATOM 0 HD13 LEU A 385 -1.565 1.973 -5.416 1.00 0.00 H new ATOM 0 HD21 LEU A 385 -3.357 3.750 -3.666 1.00 0.00 H new ATOM 0 HD22 LEU A 385 -2.147 2.619 -3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 385 -2.096 4.338 -2.556 1.00 0.00 H new ATOM 356 N HIS A 386 1.760 1.343 -5.392 1.00 0.00 N ATOM 357 CA HIS A 386 1.797 0.005 -5.967 1.00 0.00 C ATOM 358 C HIS A 386 2.132 -1.042 -4.913 1.00 0.00 C ATOM 359 O HIS A 386 2.638 -0.721 -3.839 1.00 0.00 O ATOM 360 CB HIS A 386 2.824 -0.050 -7.101 1.00 0.00 C ATOM 361 CG HIS A 386 3.272 -1.437 -7.452 1.00 0.00 C ATOM 362 ND1 HIS A 386 4.363 -2.054 -6.869 1.00 0.00 N ATOM 363 CD2 HIS A 386 2.775 -2.327 -8.346 1.00 0.00 C ATOM 364 CE1 HIS A 386 4.518 -3.257 -7.391 1.00 0.00 C ATOM 365 NE2 HIS A 386 3.567 -3.448 -8.287 1.00 0.00 N ATOM 0 H HIS A 386 2.346 1.470 -4.567 1.00 0.00 H new ATOM 0 HA HIS A 386 0.806 -0.218 -6.363 1.00 0.00 H new ATOM 0 HB2 HIS A 386 2.396 0.418 -7.988 1.00 0.00 H new ATOM 0 HB3 HIS A 386 3.695 0.541 -6.818 1.00 0.00 H new ATOM 0 HD2 HIS A 386 1.917 -2.182 -8.985 1.00 0.00 H new ATOM 0 HE1 HIS A 386 5.291 -3.964 -7.130 1.00 0.00 H new ATOM 0 HE2 HIS A 386 3.441 -4.292 -8.846 1.00 0.00 H new ATOM 374 N TYR A 387 1.849 -2.297 -5.238 1.00 0.00 N ATOM 375 CA TYR A 387 2.123 -3.401 -4.332 1.00 0.00 C ATOM 376 C TYR A 387 3.220 -4.290 -4.902 1.00 0.00 C ATOM 377 O TYR A 387 3.084 -4.851 -5.989 1.00 0.00 O ATOM 378 CB TYR A 387 0.847 -4.204 -4.079 1.00 0.00 C ATOM 379 CG TYR A 387 -0.340 -3.329 -3.740 1.00 0.00 C ATOM 380 CD1 TYR A 387 -0.595 -2.950 -2.428 1.00 0.00 C ATOM 381 CD2 TYR A 387 -1.194 -2.869 -4.734 1.00 0.00 C ATOM 382 CE1 TYR A 387 -1.667 -2.137 -2.117 1.00 0.00 C ATOM 383 CE2 TYR A 387 -2.270 -2.057 -4.429 1.00 0.00 C ATOM 384 CZ TYR A 387 -2.502 -1.694 -3.120 1.00 0.00 C ATOM 385 OH TYR A 387 -3.570 -0.883 -2.813 1.00 0.00 O ATOM 0 H TYR A 387 1.429 -2.574 -6.125 1.00 0.00 H new ATOM 0 HA TYR A 387 2.470 -3.000 -3.379 1.00 0.00 H new ATOM 0 HB2 TYR A 387 0.615 -4.796 -4.964 1.00 0.00 H new ATOM 0 HB3 TYR A 387 1.020 -4.905 -3.263 1.00 0.00 H new ATOM 0 HD1 TYR A 387 0.056 -3.297 -1.639 1.00 0.00 H new ATOM 0 HD2 TYR A 387 -1.014 -3.150 -5.761 1.00 0.00 H new ATOM 0 HE1 TYR A 387 -1.850 -1.850 -1.092 1.00 0.00 H new ATOM 0 HE2 TYR A 387 -2.926 -1.709 -5.213 1.00 0.00 H new ATOM 0 HH TYR A 387 -3.911 -0.467 -3.632 1.00 0.00 H new ATOM 395 N VAL A 388 4.310 -4.405 -4.156 1.00 0.00 N ATOM 396 CA VAL A 388 5.441 -5.216 -4.577 1.00 0.00 C ATOM 397 C VAL A 388 5.456 -6.554 -3.852 1.00 0.00 C ATOM 398 O VAL A 388 5.325 -6.606 -2.633 1.00 0.00 O ATOM 399 CB VAL A 388 6.778 -4.493 -4.322 1.00 0.00 C ATOM 400 CG1 VAL A 388 6.778 -3.828 -2.956 1.00 0.00 C ATOM 401 CG2 VAL A 388 7.940 -5.464 -4.441 1.00 0.00 C ATOM 0 H VAL A 388 4.434 -3.945 -3.254 1.00 0.00 H new ATOM 0 HA VAL A 388 5.327 -5.386 -5.648 1.00 0.00 H new ATOM 0 HB VAL A 388 6.896 -3.718 -5.079 1.00 0.00 H new ATOM 0 HG11 VAL A 388 7.731 -3.324 -2.797 1.00 0.00 H new ATOM 0 HG12 VAL A 388 5.969 -3.099 -2.906 1.00 0.00 H new ATOM 0 HG13 VAL A 388 6.634 -4.583 -2.184 1.00 0.00 H new ATOM 0 HG21 VAL A 388 8.876 -4.936 -4.258 1.00 0.00 H new ATOM 0 HG22 VAL A 388 7.824 -6.262 -3.707 1.00 0.00 H new ATOM 0 HG23 VAL A 388 7.955 -5.892 -5.443 1.00 0.00 H new ATOM 411 N THR A 389 5.634 -7.630 -4.608 1.00 0.00 N ATOM 412 CA THR A 389 5.681 -8.962 -4.025 1.00 0.00 C ATOM 413 C THR A 389 7.120 -9.411 -3.816 1.00 0.00 C ATOM 414 O THR A 389 7.838 -9.698 -4.773 1.00 0.00 O ATOM 415 CB THR A 389 4.956 -9.998 -4.902 1.00 0.00 C ATOM 416 OG1 THR A 389 3.604 -9.603 -5.169 1.00 0.00 O ATOM 417 CG2 THR A 389 4.936 -11.358 -4.219 1.00 0.00 C ATOM 0 H THR A 389 5.748 -7.606 -5.621 1.00 0.00 H new ATOM 0 HA THR A 389 5.171 -8.901 -3.064 1.00 0.00 H new ATOM 0 HB THR A 389 5.504 -10.060 -5.842 1.00 0.00 H new ATOM 0 HG1 THR A 389 3.327 -9.953 -6.041 1.00 0.00 H new ATOM 0 HG21 THR A 389 4.419 -12.077 -4.855 1.00 0.00 H new ATOM 0 HG22 THR A 389 5.959 -11.694 -4.048 1.00 0.00 H new ATOM 0 HG23 THR A 389 4.416 -11.278 -3.264 1.00 0.00 H new ATOM 425 N VAL A 390 7.532 -9.473 -2.557 1.00 0.00 N ATOM 426 CA VAL A 390 8.886 -9.895 -2.218 1.00 0.00 C ATOM 427 C VAL A 390 8.963 -11.409 -2.125 1.00 0.00 C ATOM 428 O VAL A 390 9.914 -12.027 -2.603 1.00 0.00 O ATOM 429 CB VAL A 390 9.378 -9.290 -0.884 1.00 0.00 C ATOM 430 CG1 VAL A 390 10.629 -8.459 -1.106 1.00 0.00 C ATOM 431 CG2 VAL A 390 8.294 -8.455 -0.220 1.00 0.00 C ATOM 0 H VAL A 390 6.949 -9.237 -1.754 1.00 0.00 H new ATOM 0 HA VAL A 390 9.532 -9.530 -3.017 1.00 0.00 H new ATOM 0 HB VAL A 390 9.620 -10.115 -0.214 1.00 0.00 H new ATOM 0 HG11 VAL A 390 10.961 -8.041 -0.156 1.00 0.00 H new ATOM 0 HG12 VAL A 390 11.416 -9.089 -1.520 1.00 0.00 H new ATOM 0 HG13 VAL A 390 10.409 -7.649 -1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 390 8.673 -8.044 0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 390 8.005 -7.640 -0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 390 7.426 -9.082 -0.016 1.00 0.00 H new ATOM 441 N LYS A 391 7.945 -12.001 -1.514 1.00 0.00 N ATOM 442 CA LYS A 391 7.883 -13.448 -1.364 1.00 0.00 C ATOM 443 C LYS A 391 6.467 -13.952 -1.625 1.00 0.00 C ATOM 444 O LYS A 391 5.500 -13.200 -1.513 1.00 0.00 O ATOM 445 CB LYS A 391 8.381 -13.867 0.032 1.00 0.00 C ATOM 446 CG LYS A 391 7.305 -14.390 0.973 1.00 0.00 C ATOM 447 CD LYS A 391 7.901 -15.262 2.067 1.00 0.00 C ATOM 448 CE LYS A 391 8.048 -16.704 1.607 1.00 0.00 C ATOM 449 NZ LYS A 391 8.814 -17.526 2.585 1.00 0.00 N ATOM 0 H LYS A 391 7.151 -11.501 -1.114 1.00 0.00 H new ATOM 0 HA LYS A 391 8.540 -13.906 -2.103 1.00 0.00 H new ATOM 0 HB2 LYS A 391 9.143 -14.638 -0.088 1.00 0.00 H new ATOM 0 HB3 LYS A 391 8.865 -13.010 0.500 1.00 0.00 H new ATOM 0 HG2 LYS A 391 6.774 -13.551 1.423 1.00 0.00 H new ATOM 0 HG3 LYS A 391 6.572 -14.964 0.407 1.00 0.00 H new ATOM 0 HD2 LYS A 391 8.876 -14.870 2.357 1.00 0.00 H new ATOM 0 HD3 LYS A 391 7.266 -15.223 2.952 1.00 0.00 H new ATOM 0 HE2 LYS A 391 7.060 -17.141 1.462 1.00 0.00 H new ATOM 0 HE3 LYS A 391 8.552 -16.727 0.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 8.891 -18.502 2.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 9.766 -17.125 2.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 8.320 -17.526 3.500 1.00 0.00 H new ATOM 463 N LYS A 392 6.356 -15.228 -1.972 1.00 0.00 N ATOM 464 CA LYS A 392 5.063 -15.838 -2.253 1.00 0.00 C ATOM 465 C LYS A 392 4.993 -17.239 -1.665 1.00 0.00 C ATOM 466 O LYS A 392 6.000 -17.781 -1.210 1.00 0.00 O ATOM 467 CB LYS A 392 4.818 -15.909 -3.761 1.00 0.00 C ATOM 468 CG LYS A 392 5.966 -15.364 -4.595 1.00 0.00 C ATOM 469 CD LYS A 392 7.033 -16.421 -4.830 1.00 0.00 C ATOM 470 CE LYS A 392 7.761 -16.196 -6.145 1.00 0.00 C ATOM 471 NZ LYS A 392 6.894 -16.494 -7.318 1.00 0.00 N ATOM 0 H LYS A 392 7.149 -15.862 -2.066 1.00 0.00 H new ATOM 0 HA LYS A 392 4.293 -15.218 -1.794 1.00 0.00 H new ATOM 0 HB2 LYS A 392 4.638 -16.947 -4.042 1.00 0.00 H new ATOM 0 HB3 LYS A 392 3.912 -15.352 -3.999 1.00 0.00 H new ATOM 0 HG2 LYS A 392 5.585 -15.010 -5.553 1.00 0.00 H new ATOM 0 HG3 LYS A 392 6.408 -14.505 -4.091 1.00 0.00 H new ATOM 0 HD2 LYS A 392 7.750 -16.405 -4.009 1.00 0.00 H new ATOM 0 HD3 LYS A 392 6.573 -17.409 -4.832 1.00 0.00 H new ATOM 0 HE2 LYS A 392 8.102 -15.162 -6.199 1.00 0.00 H new ATOM 0 HE3 LYS A 392 8.649 -16.827 -6.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 392 7.488 -16.661 -8.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 392 6.325 -17.342 -7.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 392 6.263 -15.687 -7.497 1.00 0.00 H new ATOM 485 N PRO A 393 3.803 -17.854 -1.679 1.00 0.00 N ATOM 486 CA PRO A 393 3.618 -19.206 -1.157 1.00 0.00 C ATOM 487 C PRO A 393 4.469 -20.210 -1.922 1.00 0.00 C ATOM 488 O PRO A 393 4.479 -20.217 -3.153 1.00 0.00 O ATOM 489 CB PRO A 393 2.127 -19.486 -1.377 1.00 0.00 C ATOM 490 CG PRO A 393 1.690 -18.499 -2.408 1.00 0.00 C ATOM 491 CD PRO A 393 2.557 -17.288 -2.216 1.00 0.00 C ATOM 0 HA PRO A 393 3.917 -19.293 -0.112 1.00 0.00 H new ATOM 0 HB2 PRO A 393 1.965 -20.509 -1.717 1.00 0.00 H new ATOM 0 HB3 PRO A 393 1.563 -19.365 -0.452 1.00 0.00 H new ATOM 0 HG2 PRO A 393 1.806 -18.907 -3.412 1.00 0.00 H new ATOM 0 HG3 PRO A 393 0.636 -18.248 -2.286 1.00 0.00 H new ATOM 0 HD2 PRO A 393 2.725 -16.760 -3.154 1.00 0.00 H new ATOM 0 HD3 PRO A 393 2.107 -16.575 -1.525 1.00 0.00 H new ATOM 499 N THR A 394 5.188 -21.052 -1.193 1.00 0.00 N ATOM 500 CA THR A 394 6.046 -22.049 -1.816 1.00 0.00 C ATOM 501 C THR A 394 6.078 -23.335 -1.001 1.00 0.00 C ATOM 502 O THR A 394 5.654 -23.361 0.155 1.00 0.00 O ATOM 503 CB THR A 394 7.485 -21.522 -1.992 1.00 0.00 C ATOM 504 OG1 THR A 394 8.378 -22.113 -1.040 1.00 0.00 O ATOM 505 CG2 THR A 394 7.542 -20.007 -1.830 1.00 0.00 C ATOM 0 H THR A 394 5.194 -21.065 -0.173 1.00 0.00 H new ATOM 0 HA THR A 394 5.624 -22.260 -2.799 1.00 0.00 H new ATOM 0 HB THR A 394 7.795 -21.795 -3.001 1.00 0.00 H new ATOM 0 HG1 THR A 394 9.168 -22.461 -1.504 1.00 0.00 H new ATOM 0 HG21 THR A 394 8.569 -19.666 -1.960 1.00 0.00 H new ATOM 0 HG22 THR A 394 6.906 -19.537 -2.580 1.00 0.00 H new ATOM 0 HG23 THR A 394 7.192 -19.734 -0.835 1.00 0.00 H new ATOM 513 N ALA A 395 6.582 -24.402 -1.611 1.00 0.00 N ATOM 514 CA ALA A 395 6.666 -25.694 -0.943 1.00 0.00 C ATOM 515 C ALA A 395 7.296 -25.557 0.435 1.00 0.00 C ATOM 516 O ALA A 395 6.743 -26.023 1.432 1.00 0.00 O ATOM 517 CB ALA A 395 7.451 -26.689 -1.785 1.00 0.00 C ATOM 0 H ALA A 395 6.938 -24.397 -2.567 1.00 0.00 H new ATOM 0 HA ALA A 395 5.650 -26.070 -0.819 1.00 0.00 H new ATOM 0 HB1 ALA A 395 7.500 -27.646 -1.266 1.00 0.00 H new ATOM 0 HB2 ALA A 395 6.955 -26.823 -2.746 1.00 0.00 H new ATOM 0 HB3 ALA A 395 8.461 -26.312 -1.947 1.00 0.00 H new ATOM 523 N VAL A 396 8.454 -24.916 0.483 1.00 0.00 N ATOM 524 CA VAL A 396 9.164 -24.714 1.733 1.00 0.00 C ATOM 525 C VAL A 396 8.355 -23.849 2.694 1.00 0.00 C ATOM 526 O VAL A 396 8.294 -24.121 3.893 1.00 0.00 O ATOM 527 CB VAL A 396 10.536 -24.055 1.488 1.00 0.00 C ATOM 528 CG1 VAL A 396 11.190 -24.633 0.243 1.00 0.00 C ATOM 529 CG2 VAL A 396 10.401 -22.541 1.370 1.00 0.00 C ATOM 0 H VAL A 396 8.922 -24.526 -0.335 1.00 0.00 H new ATOM 0 HA VAL A 396 9.313 -25.697 2.181 1.00 0.00 H new ATOM 0 HB VAL A 396 11.174 -24.271 2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 396 12.157 -24.156 0.086 1.00 0.00 H new ATOM 0 HG12 VAL A 396 11.331 -25.706 0.371 1.00 0.00 H new ATOM 0 HG13 VAL A 396 10.551 -24.451 -0.621 1.00 0.00 H new ATOM 0 HG21 VAL A 396 11.383 -22.100 1.197 1.00 0.00 H new ATOM 0 HG22 VAL A 396 9.743 -22.298 0.536 1.00 0.00 H new ATOM 0 HG23 VAL A 396 9.981 -22.140 2.292 1.00 0.00 H new ATOM 539 N ASP A 397 7.744 -22.802 2.155 1.00 0.00 N ATOM 540 CA ASP A 397 6.948 -21.887 2.962 1.00 0.00 C ATOM 541 C ASP A 397 5.833 -21.245 2.139 1.00 0.00 C ATOM 542 O ASP A 397 6.096 -20.497 1.196 1.00 0.00 O ATOM 543 CB ASP A 397 7.841 -20.798 3.559 1.00 0.00 C ATOM 544 CG ASP A 397 8.247 -21.101 4.987 1.00 0.00 C ATOM 545 OD1 ASP A 397 7.372 -21.048 5.877 1.00 0.00 O ATOM 546 OD2 ASP A 397 9.440 -21.390 5.216 1.00 0.00 O ATOM 0 H ASP A 397 7.784 -22.566 1.164 1.00 0.00 H new ATOM 0 HA ASP A 397 6.490 -22.464 3.766 1.00 0.00 H new ATOM 0 HB2 ASP A 397 8.735 -20.689 2.945 1.00 0.00 H new ATOM 0 HB3 ASP A 397 7.315 -19.844 3.529 1.00 0.00 H new ATOM 551 N PRO A 398 4.569 -21.529 2.491 1.00 0.00 N ATOM 552 CA PRO A 398 3.408 -20.979 1.792 1.00 0.00 C ATOM 553 C PRO A 398 3.073 -19.563 2.249 1.00 0.00 C ATOM 554 O PRO A 398 1.909 -19.233 2.476 1.00 0.00 O ATOM 555 CB PRO A 398 2.292 -21.943 2.185 1.00 0.00 C ATOM 556 CG PRO A 398 2.669 -22.417 3.548 1.00 0.00 C ATOM 557 CD PRO A 398 4.177 -22.411 3.605 1.00 0.00 C ATOM 0 HA PRO A 398 3.571 -20.897 0.717 1.00 0.00 H new ATOM 0 HB2 PRO A 398 1.322 -21.445 2.192 1.00 0.00 H new ATOM 0 HB3 PRO A 398 2.219 -22.773 1.482 1.00 0.00 H new ATOM 0 HG2 PRO A 398 2.250 -21.765 4.315 1.00 0.00 H new ATOM 0 HG3 PRO A 398 2.278 -23.418 3.732 1.00 0.00 H new ATOM 0 HD2 PRO A 398 4.539 -22.033 4.561 1.00 0.00 H new ATOM 0 HD3 PRO A 398 4.586 -23.414 3.484 1.00 0.00 H new ATOM 565 N ASN A 399 4.100 -18.730 2.390 1.00 0.00 N ATOM 566 CA ASN A 399 3.909 -17.351 2.826 1.00 0.00 C ATOM 567 C ASN A 399 4.289 -16.365 1.726 1.00 0.00 C ATOM 568 O ASN A 399 5.073 -16.684 0.834 1.00 0.00 O ATOM 569 CB ASN A 399 4.737 -17.073 4.082 1.00 0.00 C ATOM 570 CG ASN A 399 4.830 -18.282 4.992 1.00 0.00 C ATOM 571 OD1 ASN A 399 5.134 -19.388 4.544 1.00 0.00 O ATOM 572 ND2 ASN A 399 4.565 -18.079 6.277 1.00 0.00 N ATOM 0 H ASN A 399 5.071 -18.985 2.209 1.00 0.00 H new ATOM 0 HA ASN A 399 2.852 -17.217 3.054 1.00 0.00 H new ATOM 0 HB2 ASN A 399 5.741 -16.763 3.791 1.00 0.00 H new ATOM 0 HB3 ASN A 399 4.293 -16.242 4.630 1.00 0.00 H new ATOM 0 HD21 ASN A 399 4.609 -18.856 6.936 1.00 0.00 H new ATOM 0 HD22 ASN A 399 4.317 -17.146 6.605 1.00 0.00 H new ATOM 579 N SER A 400 3.726 -15.164 1.805 1.00 0.00 N ATOM 580 CA SER A 400 3.996 -14.118 0.825 1.00 0.00 C ATOM 581 C SER A 400 4.258 -12.785 1.516 1.00 0.00 C ATOM 582 O SER A 400 3.739 -12.527 2.603 1.00 0.00 O ATOM 583 CB SER A 400 2.815 -13.973 -0.140 1.00 0.00 C ATOM 584 OG SER A 400 3.186 -13.243 -1.297 1.00 0.00 O ATOM 0 H SER A 400 3.076 -14.890 2.542 1.00 0.00 H new ATOM 0 HA SER A 400 4.885 -14.404 0.263 1.00 0.00 H new ATOM 0 HB2 SER A 400 2.455 -14.960 -0.429 1.00 0.00 H new ATOM 0 HB3 SER A 400 1.990 -13.468 0.363 1.00 0.00 H new ATOM 0 HG SER A 400 4.115 -12.942 -1.210 1.00 0.00 H new ATOM 590 N ILE A 401 5.057 -11.939 0.878 1.00 0.00 N ATOM 591 CA ILE A 401 5.374 -10.627 1.430 1.00 0.00 C ATOM 592 C ILE A 401 5.015 -9.528 0.436 1.00 0.00 C ATOM 593 O ILE A 401 5.124 -9.712 -0.776 1.00 0.00 O ATOM 594 CB ILE A 401 6.864 -10.510 1.812 1.00 0.00 C ATOM 595 CG1 ILE A 401 7.212 -11.513 2.914 1.00 0.00 C ATOM 596 CG2 ILE A 401 7.180 -9.094 2.270 1.00 0.00 C ATOM 597 CD1 ILE A 401 8.646 -11.993 2.864 1.00 0.00 C ATOM 0 H ILE A 401 5.497 -12.137 -0.021 1.00 0.00 H new ATOM 0 HA ILE A 401 4.780 -10.508 2.336 1.00 0.00 H new ATOM 0 HB ILE A 401 7.467 -10.737 0.933 1.00 0.00 H new ATOM 0 HG12 ILE A 401 7.025 -11.053 3.885 1.00 0.00 H new ATOM 0 HG13 ILE A 401 6.547 -12.373 2.835 1.00 0.00 H new ATOM 0 HG21 ILE A 401 8.235 -9.025 2.537 1.00 0.00 H new ATOM 0 HG22 ILE A 401 6.963 -8.394 1.463 1.00 0.00 H new ATOM 0 HG23 ILE A 401 6.569 -8.848 3.139 1.00 0.00 H new ATOM 0 HD11 ILE A 401 8.821 -12.701 3.674 1.00 0.00 H new ATOM 0 HD12 ILE A 401 8.833 -12.482 1.908 1.00 0.00 H new ATOM 0 HD13 ILE A 401 9.318 -11.142 2.974 1.00 0.00 H new ATOM 609 N VAL A 402 4.591 -8.383 0.957 1.00 0.00 N ATOM 610 CA VAL A 402 4.224 -7.262 0.099 1.00 0.00 C ATOM 611 C VAL A 402 4.560 -5.912 0.723 1.00 0.00 C ATOM 612 O VAL A 402 4.395 -5.704 1.925 1.00 0.00 O ATOM 613 CB VAL A 402 2.728 -7.294 -0.277 1.00 0.00 C ATOM 614 CG1 VAL A 402 2.291 -5.969 -0.887 1.00 0.00 C ATOM 615 CG2 VAL A 402 2.446 -8.441 -1.235 1.00 0.00 C ATOM 0 H VAL A 402 4.493 -8.206 1.957 1.00 0.00 H new ATOM 0 HA VAL A 402 4.821 -7.377 -0.806 1.00 0.00 H new ATOM 0 HB VAL A 402 2.152 -7.452 0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 402 1.233 -6.018 -1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 402 2.454 -5.166 -0.168 1.00 0.00 H new ATOM 0 HG13 VAL A 402 2.874 -5.773 -1.787 1.00 0.00 H new ATOM 0 HG21 VAL A 402 1.386 -8.450 -1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 402 3.037 -8.311 -2.142 1.00 0.00 H new ATOM 0 HG23 VAL A 402 2.712 -9.385 -0.760 1.00 0.00 H new ATOM 625 N GLU A 403 5.018 -4.997 -0.124 1.00 0.00 N ATOM 626 CA GLU A 403 5.369 -3.647 0.301 1.00 0.00 C ATOM 627 C GLU A 403 4.673 -2.616 -0.585 1.00 0.00 C ATOM 628 O GLU A 403 4.968 -2.506 -1.772 1.00 0.00 O ATOM 629 CB GLU A 403 6.885 -3.444 0.246 1.00 0.00 C ATOM 630 CG GLU A 403 7.669 -4.741 0.141 1.00 0.00 C ATOM 631 CD GLU A 403 9.094 -4.523 -0.331 1.00 0.00 C ATOM 632 OE1 GLU A 403 9.489 -3.351 -0.507 1.00 0.00 O ATOM 633 OE2 GLU A 403 9.815 -5.525 -0.525 1.00 0.00 O ATOM 0 H GLU A 403 5.156 -5.169 -1.120 1.00 0.00 H new ATOM 0 HA GLU A 403 5.036 -3.513 1.330 1.00 0.00 H new ATOM 0 HB2 GLU A 403 7.128 -2.812 -0.608 1.00 0.00 H new ATOM 0 HB3 GLU A 403 7.204 -2.908 1.140 1.00 0.00 H new ATOM 0 HG2 GLU A 403 7.683 -5.233 1.114 1.00 0.00 H new ATOM 0 HG3 GLU A 403 7.160 -5.414 -0.549 1.00 0.00 H new ATOM 640 N CYS A 404 3.736 -1.870 -0.014 1.00 0.00 N ATOM 641 CA CYS A 404 3.005 -0.871 -0.778 1.00 0.00 C ATOM 642 C CYS A 404 3.854 0.370 -1.035 1.00 0.00 C ATOM 643 O CYS A 404 3.960 1.239 -0.173 1.00 0.00 O ATOM 644 CB CYS A 404 1.750 -0.460 -0.011 1.00 0.00 C ATOM 645 SG CYS A 404 0.580 -1.806 0.286 1.00 0.00 S ATOM 0 H CYS A 404 3.467 -1.937 0.968 1.00 0.00 H new ATOM 0 HA CYS A 404 2.740 -1.314 -1.738 1.00 0.00 H new ATOM 0 HB2 CYS A 404 2.048 -0.036 0.948 1.00 0.00 H new ATOM 0 HB3 CYS A 404 1.243 0.330 -0.565 1.00 0.00 H new ATOM 0 HG CYS A 404 -0.158 -1.980 -0.770 1.00 0.00 H new ATOM 651 N ARG A 405 4.466 0.450 -2.214 1.00 0.00 N ATOM 652 CA ARG A 405 5.307 1.593 -2.555 1.00 0.00 C ATOM 653 C ARG A 405 4.493 2.691 -3.232 1.00 0.00 C ATOM 654 O ARG A 405 3.268 2.598 -3.334 1.00 0.00 O ATOM 655 CB ARG A 405 6.456 1.162 -3.470 1.00 0.00 C ATOM 656 CG ARG A 405 6.611 -0.345 -3.593 1.00 0.00 C ATOM 657 CD ARG A 405 8.046 -0.730 -3.916 1.00 0.00 C ATOM 658 NE ARG A 405 8.285 -0.800 -5.354 1.00 0.00 N ATOM 659 CZ ARG A 405 9.427 -1.217 -5.891 1.00 0.00 C ATOM 660 NH1 ARG A 405 10.426 -1.605 -5.110 1.00 0.00 N ATOM 661 NH2 ARG A 405 9.570 -1.249 -7.208 1.00 0.00 N ATOM 0 H ARG A 405 4.396 -0.258 -2.945 1.00 0.00 H new ATOM 0 HA ARG A 405 5.720 1.989 -1.627 1.00 0.00 H new ATOM 0 HB2 ARG A 405 6.295 1.583 -4.462 1.00 0.00 H new ATOM 0 HB3 ARG A 405 7.387 1.584 -3.092 1.00 0.00 H new ATOM 0 HG2 ARG A 405 6.306 -0.821 -2.661 1.00 0.00 H new ATOM 0 HG3 ARG A 405 5.948 -0.718 -4.374 1.00 0.00 H new ATOM 0 HD2 ARG A 405 8.725 -0.003 -3.471 1.00 0.00 H new ATOM 0 HD3 ARG A 405 8.272 -1.696 -3.464 1.00 0.00 H new ATOM 0 HE ARG A 405 7.534 -0.513 -5.982 1.00 0.00 H new ATOM 0 HH11 ARG A 405 10.318 -1.584 -4.096 1.00 0.00 H new ATOM 0 HH12 ARG A 405 11.302 -1.925 -5.523 1.00 0.00 H new ATOM 0 HH21 ARG A 405 8.803 -0.953 -7.812 1.00 0.00 H new ATOM 0 HH22 ARG A 405 10.447 -1.569 -7.618 1.00 0.00 H new ATOM 675 N VAL A 406 5.181 3.733 -3.693 1.00 0.00 N ATOM 676 CA VAL A 406 4.519 4.849 -4.360 1.00 0.00 C ATOM 677 C VAL A 406 5.466 5.570 -5.317 1.00 0.00 C ATOM 678 O VAL A 406 6.685 5.524 -5.154 1.00 0.00 O ATOM 679 CB VAL A 406 3.953 5.856 -3.342 1.00 0.00 C ATOM 680 CG1 VAL A 406 2.451 5.671 -3.195 1.00 0.00 C ATOM 681 CG2 VAL A 406 4.646 5.709 -1.996 1.00 0.00 C ATOM 0 H VAL A 406 6.194 3.827 -3.617 1.00 0.00 H new ATOM 0 HA VAL A 406 3.694 4.427 -4.934 1.00 0.00 H new ATOM 0 HB VAL A 406 4.143 6.863 -3.712 1.00 0.00 H new ATOM 0 HG11 VAL A 406 2.065 6.390 -2.472 1.00 0.00 H new ATOM 0 HG12 VAL A 406 1.969 5.831 -4.159 1.00 0.00 H new ATOM 0 HG13 VAL A 406 2.241 4.659 -2.848 1.00 0.00 H new ATOM 0 HG21 VAL A 406 4.230 6.430 -1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 406 4.491 4.700 -1.615 1.00 0.00 H new ATOM 0 HG23 VAL A 406 5.714 5.892 -2.115 1.00 0.00 H new ATOM 691 N GLY A 407 4.890 6.232 -6.321 1.00 0.00 N ATOM 692 CA GLY A 407 5.688 6.952 -7.299 1.00 0.00 C ATOM 693 C GLY A 407 6.881 7.662 -6.688 1.00 0.00 C ATOM 694 O GLY A 407 7.889 7.882 -7.359 1.00 0.00 O ATOM 0 H GLY A 407 3.883 6.281 -6.473 1.00 0.00 H new ATOM 0 HA2 GLY A 407 6.039 6.253 -8.058 1.00 0.00 H new ATOM 0 HA3 GLY A 407 5.058 7.683 -7.806 1.00 0.00 H new ATOM 698 N ASP A 408 6.769 8.021 -5.413 1.00 0.00 N ATOM 699 CA ASP A 408 7.849 8.713 -4.715 1.00 0.00 C ATOM 700 C ASP A 408 9.028 7.780 -4.451 1.00 0.00 C ATOM 701 O ASP A 408 10.040 8.193 -3.884 1.00 0.00 O ATOM 702 CB ASP A 408 7.341 9.288 -3.392 1.00 0.00 C ATOM 703 CG ASP A 408 7.247 10.801 -3.417 1.00 0.00 C ATOM 704 OD1 ASP A 408 8.269 11.463 -3.139 1.00 0.00 O ATOM 705 OD2 ASP A 408 6.153 11.324 -3.715 1.00 0.00 O ATOM 0 H ASP A 408 5.942 7.845 -4.842 1.00 0.00 H new ATOM 0 HA ASP A 408 8.192 9.525 -5.356 1.00 0.00 H new ATOM 0 HB2 ASP A 408 6.359 8.869 -3.170 1.00 0.00 H new ATOM 0 HB3 ASP A 408 8.008 8.981 -2.586 1.00 0.00 H new ATOM 710 N GLY A 409 8.894 6.523 -4.859 1.00 0.00 N ATOM 711 CA GLY A 409 9.958 5.561 -4.649 1.00 0.00 C ATOM 712 C GLY A 409 10.054 5.122 -3.202 1.00 0.00 C ATOM 713 O GLY A 409 10.920 4.325 -2.843 1.00 0.00 O ATOM 0 H GLY A 409 8.068 6.154 -5.331 1.00 0.00 H new ATOM 0 HA2 GLY A 409 9.788 4.689 -5.281 1.00 0.00 H new ATOM 0 HA3 GLY A 409 10.907 5.998 -4.958 1.00 0.00 H new ATOM 717 N THR A 410 9.162 5.648 -2.369 1.00 0.00 N ATOM 718 CA THR A 410 9.148 5.310 -0.955 1.00 0.00 C ATOM 719 C THR A 410 8.055 4.293 -0.645 1.00 0.00 C ATOM 720 O THR A 410 7.007 4.273 -1.290 1.00 0.00 O ATOM 721 CB THR A 410 8.941 6.560 -0.080 1.00 0.00 C ATOM 722 OG1 THR A 410 9.533 7.720 -0.677 1.00 0.00 O ATOM 723 CG2 THR A 410 9.555 6.363 1.298 1.00 0.00 C ATOM 0 H THR A 410 8.440 6.310 -2.652 1.00 0.00 H new ATOM 0 HA THR A 410 10.120 4.874 -0.723 1.00 0.00 H new ATOM 0 HB THR A 410 7.865 6.709 0.010 1.00 0.00 H new ATOM 0 HG1 THR A 410 9.384 8.497 -0.099 1.00 0.00 H new ATOM 0 HG21 THR A 410 9.396 7.259 1.898 1.00 0.00 H new ATOM 0 HG22 THR A 410 9.085 5.510 1.787 1.00 0.00 H new ATOM 0 HG23 THR A 410 10.625 6.179 1.197 1.00 0.00 H new ATOM 731 N VAL A 411 8.310 3.455 0.351 1.00 0.00 N ATOM 732 CA VAL A 411 7.349 2.435 0.757 1.00 0.00 C ATOM 733 C VAL A 411 6.427 2.969 1.845 1.00 0.00 C ATOM 734 O VAL A 411 6.859 3.209 2.973 1.00 0.00 O ATOM 735 CB VAL A 411 8.054 1.167 1.280 1.00 0.00 C ATOM 736 CG1 VAL A 411 7.033 0.144 1.755 1.00 0.00 C ATOM 737 CG2 VAL A 411 8.954 0.569 0.209 1.00 0.00 C ATOM 0 H VAL A 411 9.174 3.460 0.893 1.00 0.00 H new ATOM 0 HA VAL A 411 6.767 2.175 -0.127 1.00 0.00 H new ATOM 0 HB VAL A 411 8.677 1.449 2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 411 7.550 -0.743 2.120 1.00 0.00 H new ATOM 0 HG12 VAL A 411 6.436 0.573 2.560 1.00 0.00 H new ATOM 0 HG13 VAL A 411 6.381 -0.131 0.926 1.00 0.00 H new ATOM 0 HG21 VAL A 411 9.441 -0.324 0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 411 8.356 0.304 -0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 411 9.711 1.298 -0.079 1.00 0.00 H new ATOM 747 N LEU A 412 5.156 3.157 1.507 1.00 0.00 N ATOM 748 CA LEU A 412 4.191 3.666 2.475 1.00 0.00 C ATOM 749 C LEU A 412 3.693 2.551 3.385 1.00 0.00 C ATOM 750 O LEU A 412 3.493 2.762 4.581 1.00 0.00 O ATOM 751 CB LEU A 412 3.000 4.364 1.792 1.00 0.00 C ATOM 752 CG LEU A 412 2.407 3.674 0.562 1.00 0.00 C ATOM 753 CD1 LEU A 412 1.335 2.677 0.972 1.00 0.00 C ATOM 754 CD2 LEU A 412 1.825 4.711 -0.385 1.00 0.00 C ATOM 0 H LEU A 412 4.773 2.967 0.581 1.00 0.00 H new ATOM 0 HA LEU A 412 4.711 4.410 3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 412 2.207 4.482 2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 412 3.315 5.366 1.500 1.00 0.00 H new ATOM 0 HG LEU A 412 3.202 3.132 0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 412 0.926 2.197 0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 412 1.772 1.921 1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 412 0.538 3.198 1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 412 1.405 4.211 -1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 412 1.041 5.270 0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 412 2.611 5.396 -0.702 1.00 0.00 H new ATOM 766 N GLY A 413 3.483 1.369 2.817 1.00 0.00 N ATOM 767 CA GLY A 413 2.996 0.258 3.611 1.00 0.00 C ATOM 768 C GLY A 413 3.743 -1.037 3.364 1.00 0.00 C ATOM 769 O GLY A 413 4.546 -1.142 2.438 1.00 0.00 O ATOM 0 H GLY A 413 3.640 1.162 1.831 1.00 0.00 H new ATOM 0 HA2 GLY A 413 3.072 0.516 4.667 1.00 0.00 H new ATOM 0 HA3 GLY A 413 1.938 0.105 3.396 1.00 0.00 H new ATOM 773 N THR A 414 3.462 -2.024 4.206 1.00 0.00 N ATOM 774 CA THR A 414 4.085 -3.337 4.110 1.00 0.00 C ATOM 775 C THR A 414 3.254 -4.359 4.875 1.00 0.00 C ATOM 776 O THR A 414 2.672 -4.036 5.910 1.00 0.00 O ATOM 777 CB THR A 414 5.518 -3.326 4.672 1.00 0.00 C ATOM 778 OG1 THR A 414 6.409 -2.597 3.819 1.00 0.00 O ATOM 779 CG2 THR A 414 6.049 -4.743 4.826 1.00 0.00 C ATOM 0 H THR A 414 2.796 -1.936 4.974 1.00 0.00 H new ATOM 0 HA THR A 414 4.133 -3.606 3.055 1.00 0.00 H new ATOM 0 HB THR A 414 5.473 -2.839 5.646 1.00 0.00 H new ATOM 0 HG1 THR A 414 5.890 -2.103 3.150 1.00 0.00 H new ATOM 0 HG21 THR A 414 7.063 -4.710 5.225 1.00 0.00 H new ATOM 0 HG22 THR A 414 5.408 -5.299 5.510 1.00 0.00 H new ATOM 0 HG23 THR A 414 6.057 -5.236 3.854 1.00 0.00 H new ATOM 787 N GLY A 415 3.195 -5.587 4.375 1.00 0.00 N ATOM 788 CA GLY A 415 2.422 -6.609 5.051 1.00 0.00 C ATOM 789 C GLY A 415 2.698 -8.000 4.518 1.00 0.00 C ATOM 790 O GLY A 415 3.087 -8.166 3.362 1.00 0.00 O ATOM 0 H GLY A 415 3.664 -5.891 3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 415 2.646 -6.582 6.117 1.00 0.00 H new ATOM 0 HA3 GLY A 415 1.360 -6.387 4.943 1.00 0.00 H new ATOM 794 N VAL A 416 2.483 -9.000 5.363 1.00 0.00 N ATOM 795 CA VAL A 416 2.698 -10.384 4.982 1.00 0.00 C ATOM 796 C VAL A 416 1.379 -11.151 5.022 1.00 0.00 C ATOM 797 O VAL A 416 0.530 -10.897 5.876 1.00 0.00 O ATOM 798 CB VAL A 416 3.739 -11.060 5.906 1.00 0.00 C ATOM 799 CG1 VAL A 416 3.491 -12.556 6.030 1.00 0.00 C ATOM 800 CG2 VAL A 416 5.146 -10.793 5.395 1.00 0.00 C ATOM 0 H VAL A 416 2.158 -8.874 6.322 1.00 0.00 H new ATOM 0 HA VAL A 416 3.088 -10.400 3.964 1.00 0.00 H new ATOM 0 HB VAL A 416 3.634 -10.627 6.901 1.00 0.00 H new ATOM 0 HG11 VAL A 416 4.242 -12.996 6.686 1.00 0.00 H new ATOM 0 HG12 VAL A 416 2.499 -12.727 6.448 1.00 0.00 H new ATOM 0 HG13 VAL A 416 3.555 -13.018 5.045 1.00 0.00 H new ATOM 0 HG21 VAL A 416 5.870 -11.274 6.053 1.00 0.00 H new ATOM 0 HG22 VAL A 416 5.249 -11.195 4.387 1.00 0.00 H new ATOM 0 HG23 VAL A 416 5.329 -9.719 5.378 1.00 0.00 H new ATOM 810 N GLY A 417 1.212 -12.091 4.100 1.00 0.00 N ATOM 811 CA GLY A 417 -0.007 -12.874 4.063 1.00 0.00 C ATOM 812 C GLY A 417 0.172 -14.188 3.333 1.00 0.00 C ATOM 813 O GLY A 417 1.118 -14.353 2.563 1.00 0.00 O ATOM 0 H GLY A 417 1.896 -12.324 3.380 1.00 0.00 H new ATOM 0 HA2 GLY A 417 -0.340 -13.070 5.082 1.00 0.00 H new ATOM 0 HA3 GLY A 417 -0.792 -12.295 3.577 1.00 0.00 H new ATOM 817 N ARG A 418 -0.738 -15.127 3.570 1.00 0.00 N ATOM 818 CA ARG A 418 -0.670 -16.431 2.923 1.00 0.00 C ATOM 819 C ARG A 418 -0.309 -16.275 1.452 1.00 0.00 C ATOM 820 O ARG A 418 0.498 -17.031 0.912 1.00 0.00 O ATOM 821 CB ARG A 418 -2.005 -17.161 3.055 1.00 0.00 C ATOM 822 CG ARG A 418 -3.198 -16.307 2.678 1.00 0.00 C ATOM 823 CD ARG A 418 -4.425 -16.687 3.489 1.00 0.00 C ATOM 824 NE ARG A 418 -4.808 -18.079 3.278 1.00 0.00 N ATOM 825 CZ ARG A 418 -5.870 -18.646 3.840 1.00 0.00 C ATOM 826 NH1 ARG A 418 -6.644 -17.945 4.659 1.00 0.00 N ATOM 827 NH2 ARG A 418 -6.159 -19.915 3.587 1.00 0.00 N ATOM 0 H ARG A 418 -1.529 -15.009 4.203 1.00 0.00 H new ATOM 0 HA ARG A 418 0.104 -17.019 3.416 1.00 0.00 H new ATOM 0 HB2 ARG A 418 -1.989 -18.049 2.423 1.00 0.00 H new ATOM 0 HB3 ARG A 418 -2.123 -17.504 4.083 1.00 0.00 H new ATOM 0 HG2 ARG A 418 -2.962 -15.256 2.842 1.00 0.00 H new ATOM 0 HG3 ARG A 418 -3.411 -16.424 1.615 1.00 0.00 H new ATOM 0 HD2 ARG A 418 -4.225 -16.522 4.548 1.00 0.00 H new ATOM 0 HD3 ARG A 418 -5.256 -16.037 3.216 1.00 0.00 H new ATOM 0 HE ARG A 418 -4.227 -18.650 2.664 1.00 0.00 H new ATOM 0 HH11 ARG A 418 -6.424 -16.969 4.858 1.00 0.00 H new ATOM 0 HH12 ARG A 418 -7.459 -18.382 5.089 1.00 0.00 H new ATOM 0 HH21 ARG A 418 -5.565 -20.458 2.960 1.00 0.00 H new ATOM 0 HH22 ARG A 418 -6.975 -20.348 4.020 1.00 0.00 H new ATOM 841 N ASN A 419 -0.913 -15.280 0.817 1.00 0.00 N ATOM 842 CA ASN A 419 -0.663 -15.003 -0.590 1.00 0.00 C ATOM 843 C ASN A 419 -0.350 -13.526 -0.793 1.00 0.00 C ATOM 844 O ASN A 419 -0.413 -12.735 0.147 1.00 0.00 O ATOM 845 CB ASN A 419 -1.873 -15.404 -1.434 1.00 0.00 C ATOM 846 CG ASN A 419 -1.475 -15.994 -2.773 1.00 0.00 C ATOM 847 OD1 ASN A 419 -1.171 -15.267 -3.718 1.00 0.00 O ATOM 848 ND2 ASN A 419 -1.474 -17.319 -2.859 1.00 0.00 N ATOM 0 H ASN A 419 -1.583 -14.649 1.257 1.00 0.00 H new ATOM 0 HA ASN A 419 0.198 -15.590 -0.910 1.00 0.00 H new ATOM 0 HB2 ASN A 419 -2.472 -16.130 -0.884 1.00 0.00 H new ATOM 0 HB3 ASN A 419 -2.503 -14.530 -1.598 1.00 0.00 H new ATOM 0 HD21 ASN A 419 -1.214 -17.773 -3.735 1.00 0.00 H new ATOM 0 HD22 ASN A 419 -1.733 -17.883 -2.049 1.00 0.00 H new ATOM 855 N ILE A 420 -0.010 -13.158 -2.022 1.00 0.00 N ATOM 856 CA ILE A 420 0.313 -11.772 -2.337 1.00 0.00 C ATOM 857 C ILE A 420 -0.861 -10.849 -2.023 1.00 0.00 C ATOM 858 O ILE A 420 -0.702 -9.630 -1.958 1.00 0.00 O ATOM 859 CB ILE A 420 0.713 -11.616 -3.818 1.00 0.00 C ATOM 860 CG1 ILE A 420 2.147 -12.105 -4.023 1.00 0.00 C ATOM 861 CG2 ILE A 420 0.569 -10.168 -4.264 1.00 0.00 C ATOM 862 CD1 ILE A 420 2.234 -13.492 -4.621 1.00 0.00 C ATOM 0 H ILE A 420 0.049 -13.797 -2.814 1.00 0.00 H new ATOM 0 HA ILE A 420 1.160 -11.488 -1.713 1.00 0.00 H new ATOM 0 HB ILE A 420 0.045 -12.223 -4.428 1.00 0.00 H new ATOM 0 HG12 ILE A 420 2.671 -11.405 -4.673 1.00 0.00 H new ATOM 0 HG13 ILE A 420 2.665 -12.099 -3.064 1.00 0.00 H new ATOM 0 HG21 ILE A 420 0.856 -10.080 -5.312 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -0.467 -9.852 -4.144 1.00 0.00 H new ATOM 0 HG23 ILE A 420 1.215 -9.534 -3.656 1.00 0.00 H new ATOM 0 HD11 ILE A 420 3.281 -13.773 -4.738 1.00 0.00 H new ATOM 0 HD12 ILE A 420 1.739 -14.204 -3.961 1.00 0.00 H new ATOM 0 HD13 ILE A 420 1.745 -13.499 -5.595 1.00 0.00 H new ATOM 874 N LYS A 421 -2.032 -11.436 -1.823 1.00 0.00 N ATOM 875 CA LYS A 421 -3.217 -10.661 -1.511 1.00 0.00 C ATOM 876 C LYS A 421 -3.256 -10.318 -0.032 1.00 0.00 C ATOM 877 O LYS A 421 -3.289 -9.150 0.342 1.00 0.00 O ATOM 878 CB LYS A 421 -4.467 -11.431 -1.902 1.00 0.00 C ATOM 879 CG LYS A 421 -5.734 -10.806 -1.377 1.00 0.00 C ATOM 880 CD LYS A 421 -5.695 -9.300 -1.532 1.00 0.00 C ATOM 881 CE LYS A 421 -5.701 -8.904 -2.997 1.00 0.00 C ATOM 882 NZ LYS A 421 -7.083 -8.718 -3.518 1.00 0.00 N ATOM 0 H LYS A 421 -2.184 -12.443 -1.872 1.00 0.00 H new ATOM 0 HA LYS A 421 -3.182 -9.733 -2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -4.523 -11.494 -2.989 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -4.390 -12.452 -1.527 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -6.593 -11.209 -1.913 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -5.864 -11.065 -0.326 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -6.554 -8.857 -1.028 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -4.802 -8.904 -1.048 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -5.138 -7.980 -3.125 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -5.193 -9.671 -3.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -7.070 -8.031 -4.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -7.449 -9.628 -3.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -7.697 -8.365 -2.756 1.00 0.00 H new ATOM 896 N ILE A 422 -3.236 -11.338 0.806 1.00 0.00 N ATOM 897 CA ILE A 422 -3.253 -11.127 2.241 1.00 0.00 C ATOM 898 C ILE A 422 -2.130 -10.195 2.632 1.00 0.00 C ATOM 899 O ILE A 422 -2.297 -9.318 3.480 1.00 0.00 O ATOM 900 CB ILE A 422 -3.138 -12.455 2.995 1.00 0.00 C ATOM 901 CG1 ILE A 422 -4.334 -13.347 2.662 1.00 0.00 C ATOM 902 CG2 ILE A 422 -3.046 -12.217 4.496 1.00 0.00 C ATOM 903 CD1 ILE A 422 -5.566 -12.590 2.183 1.00 0.00 C ATOM 0 H ILE A 422 -3.208 -12.316 0.519 1.00 0.00 H new ATOM 0 HA ILE A 422 -4.205 -10.673 2.514 1.00 0.00 H new ATOM 0 HB ILE A 422 -2.225 -12.959 2.679 1.00 0.00 H new ATOM 0 HG12 ILE A 422 -4.038 -14.060 1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 422 -4.599 -13.925 3.547 1.00 0.00 H new ATOM 0 HG21 ILE A 422 -2.965 -13.174 5.012 1.00 0.00 H new ATOM 0 HG22 ILE A 422 -2.167 -11.611 4.715 1.00 0.00 H new ATOM 0 HG23 ILE A 422 -3.940 -11.695 4.837 1.00 0.00 H new ATOM 0 HD11 ILE A 422 -6.367 -13.297 1.969 1.00 0.00 H new ATOM 0 HD12 ILE A 422 -5.892 -11.897 2.959 1.00 0.00 H new ATOM 0 HD13 ILE A 422 -5.322 -12.033 1.278 1.00 0.00 H new ATOM 915 N ALA A 423 -0.995 -10.360 1.971 1.00 0.00 N ATOM 916 CA ALA A 423 0.135 -9.496 2.215 1.00 0.00 C ATOM 917 C ALA A 423 -0.227 -8.102 1.730 1.00 0.00 C ATOM 918 O ALA A 423 -0.164 -7.127 2.478 1.00 0.00 O ATOM 919 CB ALA A 423 1.387 -10.005 1.514 1.00 0.00 C ATOM 0 H ALA A 423 -0.838 -11.081 1.267 1.00 0.00 H new ATOM 0 HA ALA A 423 0.359 -9.478 3.282 1.00 0.00 H new ATOM 0 HB1 ALA A 423 2.218 -9.331 1.719 1.00 0.00 H new ATOM 0 HB2 ALA A 423 1.630 -11.002 1.881 1.00 0.00 H new ATOM 0 HB3 ALA A 423 1.211 -10.047 0.439 1.00 0.00 H new ATOM 925 N GLY A 424 -0.644 -8.032 0.467 1.00 0.00 N ATOM 926 CA GLY A 424 -1.056 -6.770 -0.115 1.00 0.00 C ATOM 927 C GLY A 424 -2.110 -6.092 0.736 1.00 0.00 C ATOM 928 O GLY A 424 -2.011 -4.899 1.028 1.00 0.00 O ATOM 0 H GLY A 424 -0.703 -8.832 -0.163 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -0.191 -6.115 -0.218 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -1.448 -6.940 -1.118 1.00 0.00 H new ATOM 932 N ILE A 425 -3.106 -6.866 1.164 1.00 0.00 N ATOM 933 CA ILE A 425 -4.160 -6.341 2.020 1.00 0.00 C ATOM 934 C ILE A 425 -3.542 -5.752 3.281 1.00 0.00 C ATOM 935 O ILE A 425 -3.685 -4.565 3.573 1.00 0.00 O ATOM 936 CB ILE A 425 -5.159 -7.441 2.439 1.00 0.00 C ATOM 937 CG1 ILE A 425 -5.877 -8.018 1.222 1.00 0.00 C ATOM 938 CG2 ILE A 425 -6.164 -6.888 3.438 1.00 0.00 C ATOM 939 CD1 ILE A 425 -6.158 -9.497 1.339 1.00 0.00 C ATOM 0 H ILE A 425 -3.202 -7.854 0.931 1.00 0.00 H new ATOM 0 HA ILE A 425 -4.695 -5.580 1.453 1.00 0.00 H new ATOM 0 HB ILE A 425 -4.600 -8.247 2.915 1.00 0.00 H new ATOM 0 HG12 ILE A 425 -6.818 -7.487 1.079 1.00 0.00 H new ATOM 0 HG13 ILE A 425 -5.272 -7.840 0.333 1.00 0.00 H new ATOM 0 HG21 ILE A 425 -6.862 -7.674 3.725 1.00 0.00 H new ATOM 0 HG22 ILE A 425 -5.638 -6.529 4.323 1.00 0.00 H new ATOM 0 HG23 ILE A 425 -6.713 -6.063 2.983 1.00 0.00 H new ATOM 0 HD11 ILE A 425 -6.670 -9.842 0.441 1.00 0.00 H new ATOM 0 HD12 ILE A 425 -5.219 -10.038 1.452 1.00 0.00 H new ATOM 0 HD13 ILE A 425 -6.789 -9.680 2.209 1.00 0.00 H new ATOM 951 N ARG A 426 -2.854 -6.615 4.018 1.00 0.00 N ATOM 952 CA ARG A 426 -2.194 -6.235 5.261 1.00 0.00 C ATOM 953 C ARG A 426 -1.312 -5.003 5.080 1.00 0.00 C ATOM 954 O ARG A 426 -1.279 -4.128 5.939 1.00 0.00 O ATOM 955 CB ARG A 426 -1.358 -7.402 5.775 1.00 0.00 C ATOM 956 CG ARG A 426 -1.404 -7.570 7.285 1.00 0.00 C ATOM 957 CD ARG A 426 -0.112 -7.100 7.934 1.00 0.00 C ATOM 958 NE ARG A 426 -0.195 -7.108 9.392 1.00 0.00 N ATOM 959 CZ ARG A 426 0.721 -6.556 10.183 1.00 0.00 C ATOM 960 NH1 ARG A 426 1.775 -5.949 9.655 1.00 0.00 N ATOM 961 NH2 ARG A 426 0.583 -6.609 11.501 1.00 0.00 N ATOM 0 H ARG A 426 -2.738 -7.598 3.771 1.00 0.00 H new ATOM 0 HA ARG A 426 -2.966 -5.984 5.988 1.00 0.00 H new ATOM 0 HB2 ARG A 426 -1.707 -8.322 5.305 1.00 0.00 H new ATOM 0 HB3 ARG A 426 -0.323 -7.259 5.466 1.00 0.00 H new ATOM 0 HG2 ARG A 426 -2.243 -7.005 7.690 1.00 0.00 H new ATOM 0 HG3 ARG A 426 -1.577 -8.618 7.531 1.00 0.00 H new ATOM 0 HD2 ARG A 426 0.708 -7.743 7.615 1.00 0.00 H new ATOM 0 HD3 ARG A 426 0.120 -6.092 7.590 1.00 0.00 H new ATOM 0 HE ARG A 426 -0.999 -7.561 9.827 1.00 0.00 H new ATOM 0 HH11 ARG A 426 1.884 -5.905 8.642 1.00 0.00 H new ATOM 0 HH12 ARG A 426 2.477 -5.526 10.262 1.00 0.00 H new ATOM 0 HH21 ARG A 426 -0.227 -7.074 11.911 1.00 0.00 H new ATOM 0 HH22 ARG A 426 1.287 -6.185 12.105 1.00 0.00 H new ATOM 975 N ALA A 427 -0.593 -4.946 3.964 1.00 0.00 N ATOM 976 CA ALA A 427 0.291 -3.818 3.681 1.00 0.00 C ATOM 977 C ALA A 427 -0.517 -2.554 3.411 1.00 0.00 C ATOM 978 O ALA A 427 -0.404 -1.560 4.126 1.00 0.00 O ATOM 979 CB ALA A 427 1.202 -4.123 2.501 1.00 0.00 C ATOM 0 H ALA A 427 -0.604 -5.666 3.241 1.00 0.00 H new ATOM 0 HA ALA A 427 0.913 -3.652 4.561 1.00 0.00 H new ATOM 0 HB1 ALA A 427 1.850 -3.267 2.311 1.00 0.00 H new ATOM 0 HB2 ALA A 427 1.812 -4.997 2.729 1.00 0.00 H new ATOM 0 HB3 ALA A 427 0.597 -4.324 1.617 1.00 0.00 H new ATOM 985 N ALA A 428 -1.334 -2.602 2.368 1.00 0.00 N ATOM 986 CA ALA A 428 -2.158 -1.455 2.010 1.00 0.00 C ATOM 987 C ALA A 428 -2.719 -0.860 3.289 1.00 0.00 C ATOM 988 O ALA A 428 -2.607 0.338 3.545 1.00 0.00 O ATOM 989 CB ALA A 428 -3.276 -1.853 1.063 1.00 0.00 C ATOM 0 H ALA A 428 -1.444 -3.414 1.760 1.00 0.00 H new ATOM 0 HA ALA A 428 -1.551 -0.716 1.488 1.00 0.00 H new ATOM 0 HB1 ALA A 428 -3.873 -0.975 0.815 1.00 0.00 H new ATOM 0 HB2 ALA A 428 -2.849 -2.271 0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 428 -3.910 -2.599 1.542 1.00 0.00 H new ATOM 995 N GLU A 429 -3.281 -1.739 4.103 1.00 0.00 N ATOM 996 CA GLU A 429 -3.833 -1.378 5.397 1.00 0.00 C ATOM 997 C GLU A 429 -2.728 -0.868 6.313 1.00 0.00 C ATOM 998 O GLU A 429 -2.889 0.119 7.015 1.00 0.00 O ATOM 999 CB GLU A 429 -4.472 -2.615 6.007 1.00 0.00 C ATOM 1000 CG GLU A 429 -5.882 -2.387 6.529 1.00 0.00 C ATOM 1001 CD GLU A 429 -6.077 -2.925 7.934 1.00 0.00 C ATOM 1002 OE1 GLU A 429 -5.566 -4.027 8.223 1.00 0.00 O ATOM 1003 OE2 GLU A 429 -6.742 -2.244 8.742 1.00 0.00 O ATOM 0 H GLU A 429 -3.367 -2.731 3.882 1.00 0.00 H new ATOM 0 HA GLU A 429 -4.576 -0.589 5.276 1.00 0.00 H new ATOM 0 HB2 GLU A 429 -4.496 -3.406 5.258 1.00 0.00 H new ATOM 0 HB3 GLU A 429 -3.845 -2.970 6.825 1.00 0.00 H new ATOM 0 HG2 GLU A 429 -6.101 -1.319 6.519 1.00 0.00 H new ATOM 0 HG3 GLU A 429 -6.596 -2.865 5.858 1.00 0.00 H new ATOM 1010 N ASN A 430 -1.607 -1.569 6.285 1.00 0.00 N ATOM 1011 CA ASN A 430 -0.465 -1.197 7.108 1.00 0.00 C ATOM 1012 C ASN A 430 -0.201 0.287 6.949 1.00 0.00 C ATOM 1013 O ASN A 430 -0.235 1.044 7.920 1.00 0.00 O ATOM 1014 CB ASN A 430 0.764 -2.004 6.722 1.00 0.00 C ATOM 1015 CG ASN A 430 2.038 -1.439 7.315 1.00 0.00 C ATOM 1016 OD1 ASN A 430 2.620 -0.496 6.782 1.00 0.00 O ATOM 1017 ND2 ASN A 430 2.476 -2.013 8.429 1.00 0.00 N ATOM 0 H ASN A 430 -1.462 -2.395 5.705 1.00 0.00 H new ATOM 0 HA ASN A 430 -0.689 -1.415 8.152 1.00 0.00 H new ATOM 0 HB2 ASN A 430 0.638 -3.034 7.055 1.00 0.00 H new ATOM 0 HB3 ASN A 430 0.852 -2.029 5.636 1.00 0.00 H new ATOM 0 HD21 ASN A 430 3.327 -1.674 8.877 1.00 0.00 H new ATOM 0 HD22 ASN A 430 1.961 -2.793 8.837 1.00 0.00 H new ATOM 1024 N ALA A 431 0.012 0.707 5.710 1.00 0.00 N ATOM 1025 CA ALA A 431 0.221 2.114 5.421 1.00 0.00 C ATOM 1026 C ALA A 431 -1.025 2.860 5.847 1.00 0.00 C ATOM 1027 O ALA A 431 -0.967 3.915 6.479 1.00 0.00 O ATOM 1028 CB ALA A 431 0.485 2.337 3.942 1.00 0.00 C ATOM 0 H ALA A 431 0.044 0.095 4.894 1.00 0.00 H new ATOM 0 HA ALA A 431 1.094 2.477 5.964 1.00 0.00 H new ATOM 0 HB1 ALA A 431 0.638 3.400 3.756 1.00 0.00 H new ATOM 0 HB2 ALA A 431 1.376 1.785 3.644 1.00 0.00 H new ATOM 0 HB3 ALA A 431 -0.369 1.986 3.363 1.00 0.00 H new ATOM 1034 N LEU A 432 -2.157 2.264 5.497 1.00 0.00 N ATOM 1035 CA LEU A 432 -3.467 2.801 5.826 1.00 0.00 C ATOM 1036 C LEU A 432 -3.565 3.157 7.301 1.00 0.00 C ATOM 1037 O LEU A 432 -4.010 4.244 7.669 1.00 0.00 O ATOM 1038 CB LEU A 432 -4.513 1.741 5.503 1.00 0.00 C ATOM 1039 CG LEU A 432 -5.890 2.267 5.142 1.00 0.00 C ATOM 1040 CD1 LEU A 432 -6.543 1.338 4.135 1.00 0.00 C ATOM 1041 CD2 LEU A 432 -6.747 2.402 6.393 1.00 0.00 C ATOM 0 H LEU A 432 -2.190 1.389 4.974 1.00 0.00 H new ATOM 0 HA LEU A 432 -3.631 3.709 5.245 1.00 0.00 H new ATOM 0 HB2 LEU A 432 -4.146 1.135 4.674 1.00 0.00 H new ATOM 0 HB3 LEU A 432 -4.611 1.079 6.363 1.00 0.00 H new ATOM 0 HG LEU A 432 -5.793 3.255 4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 432 -7.532 1.718 3.877 1.00 0.00 H new ATOM 0 HD12 LEU A 432 -5.929 1.286 3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 432 -6.638 0.342 4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 432 -7.732 2.780 6.120 1.00 0.00 H new ATOM 0 HD22 LEU A 432 -6.852 1.427 6.869 1.00 0.00 H new ATOM 0 HD23 LEU A 432 -6.272 3.095 7.087 1.00 0.00 H new ATOM 1053 N ARG A 433 -3.157 2.215 8.137 1.00 0.00 N ATOM 1054 CA ARG A 433 -3.200 2.381 9.577 1.00 0.00 C ATOM 1055 C ARG A 433 -2.339 3.558 10.028 1.00 0.00 C ATOM 1056 O ARG A 433 -2.412 3.990 11.180 1.00 0.00 O ATOM 1057 CB ARG A 433 -2.749 1.082 10.243 1.00 0.00 C ATOM 1058 CG ARG A 433 -3.745 -0.054 10.066 1.00 0.00 C ATOM 1059 CD ARG A 433 -3.047 -1.387 9.850 1.00 0.00 C ATOM 1060 NE ARG A 433 -2.789 -2.086 11.107 1.00 0.00 N ATOM 1061 CZ ARG A 433 -1.672 -1.950 11.815 1.00 0.00 C ATOM 1062 NH1 ARG A 433 -0.710 -1.137 11.397 1.00 0.00 N ATOM 1063 NH2 ARG A 433 -1.515 -2.626 12.945 1.00 0.00 N ATOM 0 H ARG A 433 -2.787 1.314 7.834 1.00 0.00 H new ATOM 0 HA ARG A 433 -4.224 2.604 9.878 1.00 0.00 H new ATOM 0 HB2 ARG A 433 -1.787 0.782 9.828 1.00 0.00 H new ATOM 0 HB3 ARG A 433 -2.595 1.260 11.307 1.00 0.00 H new ATOM 0 HG2 ARG A 433 -4.385 -0.117 10.946 1.00 0.00 H new ATOM 0 HG3 ARG A 433 -4.393 0.159 9.216 1.00 0.00 H new ATOM 0 HD2 ARG A 433 -3.661 -2.016 9.206 1.00 0.00 H new ATOM 0 HD3 ARG A 433 -2.104 -1.221 9.329 1.00 0.00 H new ATOM 0 HE ARG A 433 -3.509 -2.716 11.462 1.00 0.00 H new ATOM 0 HH11 ARG A 433 -0.826 -0.613 10.529 1.00 0.00 H new ATOM 0 HH12 ARG A 433 0.145 -1.036 11.943 1.00 0.00 H new ATOM 0 HH21 ARG A 433 -2.252 -3.251 13.272 1.00 0.00 H new ATOM 0 HH22 ARG A 433 -0.658 -2.521 13.487 1.00 0.00 H new ATOM 1077 N ASP A 434 -1.534 4.082 9.109 1.00 0.00 N ATOM 1078 CA ASP A 434 -0.670 5.216 9.397 1.00 0.00 C ATOM 1079 C ASP A 434 -1.244 6.495 8.788 1.00 0.00 C ATOM 1080 O ASP A 434 -1.254 6.668 7.570 1.00 0.00 O ATOM 1081 CB ASP A 434 0.735 4.958 8.862 1.00 0.00 C ATOM 1082 CG ASP A 434 1.604 4.209 9.852 1.00 0.00 C ATOM 1083 OD1 ASP A 434 1.402 2.987 10.013 1.00 0.00 O ATOM 1084 OD2 ASP A 434 2.486 4.843 10.466 1.00 0.00 O ATOM 0 H ASP A 434 -1.464 3.735 8.153 1.00 0.00 H new ATOM 0 HA ASP A 434 -0.615 5.344 10.478 1.00 0.00 H new ATOM 0 HB2 ASP A 434 0.669 4.386 7.936 1.00 0.00 H new ATOM 0 HB3 ASP A 434 1.207 5.909 8.616 1.00 0.00 H new ATOM 1089 N LYS A 435 -1.719 7.385 9.652 1.00 0.00 N ATOM 1090 CA LYS A 435 -2.297 8.653 9.210 1.00 0.00 C ATOM 1091 C LYS A 435 -1.220 9.578 8.660 1.00 0.00 C ATOM 1092 O LYS A 435 -1.322 10.060 7.534 1.00 0.00 O ATOM 1093 CB LYS A 435 -3.041 9.337 10.357 1.00 0.00 C ATOM 1094 CG LYS A 435 -3.985 10.432 9.891 1.00 0.00 C ATOM 1095 CD LYS A 435 -5.438 10.056 10.128 1.00 0.00 C ATOM 1096 CE LYS A 435 -5.813 8.782 9.390 1.00 0.00 C ATOM 1097 NZ LYS A 435 -6.894 8.032 10.089 1.00 0.00 N ATOM 0 H LYS A 435 -1.716 7.254 10.664 1.00 0.00 H new ATOM 0 HA LYS A 435 -3.008 8.437 8.412 1.00 0.00 H new ATOM 0 HB2 LYS A 435 -3.608 8.589 10.911 1.00 0.00 H new ATOM 0 HB3 LYS A 435 -2.315 9.763 11.049 1.00 0.00 H new ATOM 0 HG2 LYS A 435 -3.758 11.358 10.419 1.00 0.00 H new ATOM 0 HG3 LYS A 435 -3.826 10.623 8.830 1.00 0.00 H new ATOM 0 HD2 LYS A 435 -5.611 9.923 11.196 1.00 0.00 H new ATOM 0 HD3 LYS A 435 -6.084 10.871 9.800 1.00 0.00 H new ATOM 0 HE2 LYS A 435 -6.138 9.030 8.380 1.00 0.00 H new ATOM 0 HE3 LYS A 435 -4.933 8.146 9.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 -7.120 7.170 9.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 -6.575 7.773 11.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 -7.742 8.630 10.158 1.00 0.00 H new ATOM 1111 N LYS A 436 -0.214 9.849 9.477 1.00 0.00 N ATOM 1112 CA LYS A 436 0.857 10.757 9.084 1.00 0.00 C ATOM 1113 C LYS A 436 1.180 10.603 7.604 1.00 0.00 C ATOM 1114 O LYS A 436 1.171 11.584 6.860 1.00 0.00 O ATOM 1115 CB LYS A 436 2.111 10.498 9.917 1.00 0.00 C ATOM 1116 CG LYS A 436 2.401 11.591 10.932 1.00 0.00 C ATOM 1117 CD LYS A 436 1.619 11.378 12.218 1.00 0.00 C ATOM 1118 CE LYS A 436 2.545 11.276 13.419 1.00 0.00 C ATOM 1119 NZ LYS A 436 3.326 12.527 13.624 1.00 0.00 N ATOM 0 H LYS A 436 -0.115 9.456 10.413 1.00 0.00 H new ATOM 0 HA LYS A 436 0.516 11.777 9.263 1.00 0.00 H new ATOM 0 HB2 LYS A 436 2.001 9.548 10.440 1.00 0.00 H new ATOM 0 HB3 LYS A 436 2.967 10.397 9.249 1.00 0.00 H new ATOM 0 HG2 LYS A 436 3.468 11.610 11.153 1.00 0.00 H new ATOM 0 HG3 LYS A 436 2.146 12.561 10.506 1.00 0.00 H new ATOM 0 HD2 LYS A 436 0.922 12.203 12.363 1.00 0.00 H new ATOM 0 HD3 LYS A 436 1.024 10.469 12.137 1.00 0.00 H new ATOM 0 HE2 LYS A 436 1.959 11.063 14.313 1.00 0.00 H new ATOM 0 HE3 LYS A 436 3.229 10.439 13.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 436 3.647 12.578 14.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 436 4.151 12.529 12.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 436 2.726 13.350 13.413 1.00 0.00 H new ATOM 1133 N MET A 437 1.435 9.379 7.167 1.00 0.00 N ATOM 1134 CA MET A 437 1.723 9.148 5.757 1.00 0.00 C ATOM 1135 C MET A 437 0.491 9.492 4.936 1.00 0.00 C ATOM 1136 O MET A 437 0.583 10.169 3.914 1.00 0.00 O ATOM 1137 CB MET A 437 2.161 7.708 5.481 1.00 0.00 C ATOM 1138 CG MET A 437 1.725 6.706 6.531 1.00 0.00 C ATOM 1139 SD MET A 437 2.169 5.016 6.086 1.00 0.00 S ATOM 1140 CE MET A 437 3.409 4.654 7.325 1.00 0.00 C ATOM 0 H MET A 437 1.449 8.545 7.754 1.00 0.00 H new ATOM 0 HA MET A 437 2.556 9.790 5.472 1.00 0.00 H new ATOM 0 HB2 MET A 437 1.762 7.399 4.515 1.00 0.00 H new ATOM 0 HB3 MET A 437 3.248 7.681 5.401 1.00 0.00 H new ATOM 0 HG2 MET A 437 2.184 6.961 7.486 1.00 0.00 H new ATOM 0 HG3 MET A 437 0.646 6.772 6.668 1.00 0.00 H new ATOM 0 HE1 MET A 437 4.395 4.647 6.861 1.00 0.00 H new ATOM 0 HE2 MET A 437 3.379 5.417 8.103 1.00 0.00 H new ATOM 0 HE3 MET A 437 3.209 3.678 7.766 1.00 0.00 H new ATOM 1150 N LEU A 438 -0.674 9.056 5.410 1.00 0.00 N ATOM 1151 CA LEU A 438 -1.921 9.366 4.728 1.00 0.00 C ATOM 1152 C LEU A 438 -1.939 10.857 4.430 1.00 0.00 C ATOM 1153 O LEU A 438 -1.929 11.284 3.276 1.00 0.00 O ATOM 1154 CB LEU A 438 -3.103 9.013 5.630 1.00 0.00 C ATOM 1155 CG LEU A 438 -4.115 8.033 5.042 1.00 0.00 C ATOM 1156 CD1 LEU A 438 -3.456 6.692 4.753 1.00 0.00 C ATOM 1157 CD2 LEU A 438 -5.285 7.863 5.998 1.00 0.00 C ATOM 0 H LEU A 438 -0.777 8.493 6.254 1.00 0.00 H new ATOM 0 HA LEU A 438 -1.998 8.792 3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 438 -2.715 8.593 6.558 1.00 0.00 H new ATOM 0 HB3 LEU A 438 -3.625 9.934 5.890 1.00 0.00 H new ATOM 0 HG LEU A 438 -4.488 8.434 4.100 1.00 0.00 H new ATOM 0 HD11 LEU A 438 -4.193 6.007 4.334 1.00 0.00 H new ATOM 0 HD12 LEU A 438 -2.644 6.832 4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 438 -3.058 6.275 5.678 1.00 0.00 H new ATOM 0 HD21 LEU A 438 -6.004 7.163 5.573 1.00 0.00 H new ATOM 0 HD22 LEU A 438 -4.923 7.477 6.951 1.00 0.00 H new ATOM 0 HD23 LEU A 438 -5.768 8.827 6.157 1.00 0.00 H new ATOM 1169 N ASP A 439 -1.953 11.633 5.507 1.00 0.00 N ATOM 1170 CA ASP A 439 -1.957 13.087 5.436 1.00 0.00 C ATOM 1171 C ASP A 439 -0.730 13.597 4.696 1.00 0.00 C ATOM 1172 O ASP A 439 -0.708 14.725 4.213 1.00 0.00 O ATOM 1173 CB ASP A 439 -1.979 13.666 6.850 1.00 0.00 C ATOM 1174 CG ASP A 439 -3.012 14.764 7.010 1.00 0.00 C ATOM 1175 OD1 ASP A 439 -2.732 15.907 6.594 1.00 0.00 O ATOM 1176 OD2 ASP A 439 -4.102 14.480 7.552 1.00 0.00 O ATOM 0 H ASP A 439 -1.962 11.268 6.459 1.00 0.00 H new ATOM 0 HA ASP A 439 -2.846 13.405 4.891 1.00 0.00 H new ATOM 0 HB2 ASP A 439 -2.188 12.868 7.563 1.00 0.00 H new ATOM 0 HB3 ASP A 439 -0.993 14.061 7.093 1.00 0.00 H new ATOM 1181 N PHE A 440 0.287 12.755 4.602 1.00 0.00 N ATOM 1182 CA PHE A 440 1.510 13.123 3.912 1.00 0.00 C ATOM 1183 C PHE A 440 1.284 13.076 2.410 1.00 0.00 C ATOM 1184 O PHE A 440 1.487 14.064 1.705 1.00 0.00 O ATOM 1185 CB PHE A 440 2.650 12.186 4.307 1.00 0.00 C ATOM 1186 CG PHE A 440 3.978 12.577 3.726 1.00 0.00 C ATOM 1187 CD1 PHE A 440 4.366 12.117 2.477 1.00 0.00 C ATOM 1188 CD2 PHE A 440 4.838 13.407 4.427 1.00 0.00 C ATOM 1189 CE1 PHE A 440 5.586 12.476 1.939 1.00 0.00 C ATOM 1190 CE2 PHE A 440 6.060 13.770 3.894 1.00 0.00 C ATOM 1191 CZ PHE A 440 6.434 13.305 2.649 1.00 0.00 C ATOM 0 H PHE A 440 0.289 11.814 4.995 1.00 0.00 H new ATOM 0 HA PHE A 440 1.787 14.137 4.200 1.00 0.00 H new ATOM 0 HB2 PHE A 440 2.731 12.164 5.394 1.00 0.00 H new ATOM 0 HB3 PHE A 440 2.406 11.174 3.985 1.00 0.00 H new ATOM 0 HD1 PHE A 440 3.706 11.470 1.918 1.00 0.00 H new ATOM 0 HD2 PHE A 440 4.550 13.774 5.401 1.00 0.00 H new ATOM 0 HE1 PHE A 440 5.877 12.110 0.966 1.00 0.00 H new ATOM 0 HE2 PHE A 440 6.722 14.417 4.451 1.00 0.00 H new ATOM 0 HZ PHE A 440 7.388 13.589 2.230 1.00 0.00 H new ATOM 1201 N TYR A 441 0.848 11.917 1.930 1.00 0.00 N ATOM 1202 CA TYR A 441 0.577 11.734 0.522 1.00 0.00 C ATOM 1203 C TYR A 441 -0.521 12.679 0.078 1.00 0.00 C ATOM 1204 O TYR A 441 -0.347 13.436 -0.878 1.00 0.00 O ATOM 1205 CB TYR A 441 0.204 10.282 0.250 1.00 0.00 C ATOM 1206 CG TYR A 441 1.368 9.348 0.466 1.00 0.00 C ATOM 1207 CD1 TYR A 441 2.540 9.506 -0.263 1.00 0.00 C ATOM 1208 CD2 TYR A 441 1.312 8.333 1.412 1.00 0.00 C ATOM 1209 CE1 TYR A 441 3.623 8.675 -0.062 1.00 0.00 C ATOM 1210 CE2 TYR A 441 2.397 7.500 1.624 1.00 0.00 C ATOM 1211 CZ TYR A 441 3.549 7.677 0.882 1.00 0.00 C ATOM 1212 OH TYR A 441 4.636 6.857 1.090 1.00 0.00 O ATOM 0 H TYR A 441 0.676 11.091 2.503 1.00 0.00 H new ATOM 0 HA TYR A 441 1.473 11.966 -0.054 1.00 0.00 H new ATOM 0 HB2 TYR A 441 -0.620 9.991 0.902 1.00 0.00 H new ATOM 0 HB3 TYR A 441 -0.152 10.186 -0.776 1.00 0.00 H new ATOM 0 HD1 TYR A 441 2.605 10.293 -1.000 1.00 0.00 H new ATOM 0 HD2 TYR A 441 0.410 8.192 1.990 1.00 0.00 H new ATOM 0 HE1 TYR A 441 4.524 8.807 -0.643 1.00 0.00 H new ATOM 0 HE2 TYR A 441 2.343 6.716 2.365 1.00 0.00 H new ATOM 0 HH TYR A 441 4.836 6.815 2.049 1.00 0.00 H new ATOM 1222 N ALA A 442 -1.640 12.676 0.791 1.00 0.00 N ATOM 1223 CA ALA A 442 -2.714 13.589 0.450 1.00 0.00 C ATOM 1224 C ALA A 442 -2.109 14.978 0.337 1.00 0.00 C ATOM 1225 O ALA A 442 -2.087 15.578 -0.738 1.00 0.00 O ATOM 1226 CB ALA A 442 -3.827 13.559 1.489 1.00 0.00 C ATOM 0 H ALA A 442 -1.822 12.067 1.589 1.00 0.00 H new ATOM 0 HA ALA A 442 -3.171 13.292 -0.494 1.00 0.00 H new ATOM 0 HB1 ALA A 442 -4.614 14.256 1.200 1.00 0.00 H new ATOM 0 HB2 ALA A 442 -4.239 12.552 1.552 1.00 0.00 H new ATOM 0 HB3 ALA A 442 -3.426 13.848 2.460 1.00 0.00 H new ATOM 1232 N LYS A 443 -1.605 15.478 1.462 1.00 0.00 N ATOM 1233 CA LYS A 443 -0.981 16.791 1.495 1.00 0.00 C ATOM 1234 C LYS A 443 -0.095 16.943 0.272 1.00 0.00 C ATOM 1235 O LYS A 443 -0.026 18.010 -0.345 1.00 0.00 O ATOM 1236 CB LYS A 443 -0.136 16.945 2.754 1.00 0.00 C ATOM 1237 CG LYS A 443 -0.939 17.234 4.007 1.00 0.00 C ATOM 1238 CD LYS A 443 -1.274 18.711 4.134 1.00 0.00 C ATOM 1239 CE LYS A 443 -2.678 19.009 3.629 1.00 0.00 C ATOM 1240 NZ LYS A 443 -3.715 18.689 4.648 1.00 0.00 N ATOM 0 H LYS A 443 -1.618 14.993 2.359 1.00 0.00 H new ATOM 0 HA LYS A 443 -1.756 17.558 1.498 1.00 0.00 H new ATOM 0 HB2 LYS A 443 0.439 16.032 2.907 1.00 0.00 H new ATOM 0 HB3 LYS A 443 0.581 17.751 2.601 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -1.861 16.652 3.990 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -0.375 16.913 4.883 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -1.189 19.016 5.177 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -0.551 19.299 3.570 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -2.750 20.062 3.357 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -2.868 18.432 2.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 -4.657 18.906 4.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 -3.664 17.679 4.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 -3.549 19.258 5.503 1.00 0.00 H new ATOM 1254 N GLN A 444 0.528 15.842 -0.123 1.00 0.00 N ATOM 1255 CA GLN A 444 1.342 15.860 -1.322 1.00 0.00 C ATOM 1256 C GLN A 444 0.446 16.345 -2.448 1.00 0.00 C ATOM 1257 O GLN A 444 0.677 17.392 -3.052 1.00 0.00 O ATOM 1258 CB GLN A 444 1.903 14.469 -1.633 1.00 0.00 C ATOM 1259 CG GLN A 444 3.222 14.502 -2.390 1.00 0.00 C ATOM 1260 CD GLN A 444 3.335 13.396 -3.422 1.00 0.00 C ATOM 1261 OE1 GLN A 444 2.572 12.430 -3.404 1.00 0.00 O ATOM 1262 NE2 GLN A 444 4.294 13.532 -4.334 1.00 0.00 N ATOM 0 H GLN A 444 0.486 14.944 0.360 1.00 0.00 H new ATOM 0 HA GLN A 444 2.202 16.518 -1.194 1.00 0.00 H new ATOM 0 HB2 GLN A 444 2.043 13.925 -0.699 1.00 0.00 H new ATOM 0 HB3 GLN A 444 1.171 13.913 -2.219 1.00 0.00 H new ATOM 0 HG2 GLN A 444 3.327 15.467 -2.885 1.00 0.00 H new ATOM 0 HG3 GLN A 444 4.045 14.416 -1.681 1.00 0.00 H new ATOM 0 HE21 GLN A 444 4.905 14.348 -4.313 1.00 0.00 H new ATOM 0 HE22 GLN A 444 4.418 12.820 -5.054 1.00 0.00 H new